CAS
914349-04-5 Purity
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914349-04-5 Purity
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1-Boc-3-hydroxymethyl-5-nitroindole
CAS
914349-07-8
Catalog Number
ACM914349078
Category
Other Products
Molecular Weight
292.29
Molecular Formula
C14H16N2O5
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Specification
Synonyms
1-Boc-3-Hydroxymethyl-5-nitroindole;3-(Hydroxymethyl)-5-nitro-1H-indole, N-boc protected
IUPAC Name
tert-butyl 3-(hydroxymethyl)-5-nitroindole-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CO
InChI Key
ZMPACHXTNKWGMG-UHFFFAOYSA-N
Boiling Point
470.2ºC at 760 mmHg
Flash Point
238.1ºC
Density
1.32g/cm³
Exact Mass
292.10600
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 1-Boc-3-hydroxymethyl-5-nitroindole?
The molecular formula of 1-Boc-3-hydroxymethyl-5-nitroindole is C14H16N2O5.
When was 1-Boc-3-hydroxymethyl-5-nitroindole created in PubChem?
1-Boc-3-hydroxymethyl-5-nitroindole was created in PubChem on May 30, 2009.
What is the molecular weight of 1-Boc-3-hydroxymethyl-5-nitroindole?
The molecular weight of 1-Boc-3-hydroxymethyl-5-nitroindole is 292.29 g/mol.
How many synonyms are listed for 1-Boc-3-hydroxymethyl-5-nitroindole in PubChem?
There are several synonyms listed for 1-Boc-3-hydroxymethyl-5-nitroindole in PubChem.
What is the InChIKey of 1-Boc-3-hydroxymethyl-5-nitroindole?
The InChIKey of 1-Boc-3-hydroxymethyl-5-nitroindole is ZMPACHXTNKWGMG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-Boc-3-hydroxymethyl-5-nitroindole have?
1-Boc-3-hydroxymethyl-5-nitroindole has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 1-Boc-3-hydroxymethyl-5-nitroindole?
The XLogP3-AA value of 1-Boc-3-hydroxymethyl-5-nitroindole is 2.2.
How many rotatable bond counts does 1-Boc-3-hydroxymethyl-5-nitroindole have?
1-Boc-3-hydroxymethyl-5-nitroindole has 3 rotatable bond counts.
Is 1-Boc-3-hydroxymethyl-5-nitroindole a canonicalized compound?
Yes, 1-Boc-3-hydroxymethyl-5-nitroindole is a canonicalized compound.
What is the topological polar surface area of 1-Boc-3-hydroxymethyl-5-nitroindole?
The topological polar surface area of 1-Boc-3-hydroxymethyl-5-nitroindole is 97.3 Ų.
Upstream Synthesis Route 1
- 24424-99-5
- 215998-12-2
- 914349-07-8
Reference: [1] Angewandte Chemie - International Edition, 2010, vol. 49, # 33, p. 5721 - 5725
Upstream Synthesis Route 2
- 6146-52-7
- 914349-07-8
Reference: [1] Patent: CN107915726, 2018, A,
Upstream Synthesis Route 3
- 6625-96-3
- 914349-07-8
Reference: [1] Patent: CN107915726, 2018, A,
Upstream Synthesis Route 4
- 24424-99-5
- 215998-12-2
- 914349-07-8
Reference: [1]Angewandte Chemie - International Edition,2010,vol. 49,p. 5721 - 5725
Upstream Synthesis Route 5
- 6146-52-7
- 914349-07-8
Reference: [1]Patent: CN107915726,2018,A
Downstream Synthesis Route 1
- 914349-07-8
- 1240467-07-5
Reference: [1]Angewandte Chemie - International Edition,2010,vol. 49,p. 5721 - 5725
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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