CAS
914349-03-4 Purity
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914349-03-4 Purity
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1-Boc-3-formyl-5-nitroindole
CAS
914349-06-7
Catalog Number
ACM914349067
Category
Other Products
Molecular Weight
290.27
Molecular Formula
C14H14N2O5
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Specification
Synonyms
1-Boc-3-Formyl-5-nitroindole;5-Nitroindole-3-carboxaldehyde, N-boc protected
IUPAC Name
tert-butyl 3-formyl-5-nitroindole-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])C=O
InChI Key
CGVAPQUBCFFZMC-UHFFFAOYSA-N
Boiling Point
454.7ºC at 760 mmHg
Flash Point
228.8ºC
Density
1.31g/cm³
Exact Mass
290.09000
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 1-Boc-3-formyl-5-nitroindole?
The molecular formula of 1-Boc-3-formyl-5-nitroindole is C14H14N2O5.
What are some synonyms for 1-Boc-3-formyl-5-nitroindole?
Some synonyms for 1-Boc-3-formyl-5-nitroindole are tert-Butyl 3-formyl-5-nitro-1H-indole-1-carboxylate and 5-Nitroindole-3-carboxaldehyde.
When was 1-Boc-3-formyl-5-nitroindole created and modified in PubChem?
1-Boc-3-formyl-5-nitroindole was created on May 30, 2009, and modified on December 30, 2023.
What is the InChIKey for 1-Boc-3-formyl-5-nitroindole?
The InChIKey for 1-Boc-3-formyl-5-nitroindole is CGVAPQUBCFFZMC-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 1-Boc-3-formyl-5-nitroindole have?
1-Boc-3-formyl-5-nitroindole has 5 hydrogen bond acceptors.
What is the topological polar surface area of 1-Boc-3-formyl-5-nitroindole?
The topological polar surface area of 1-Boc-3-formyl-5-nitroindole is 94.1 Ų.
Does 1-Boc-3-formyl-5-nitroindole have any defined atom stereocenters?
No, 1-Boc-3-formyl-5-nitroindole does not have any defined atom stereocenters.
How many rotatable bonds does 1-Boc-3-formyl-5-nitroindole have?
1-Boc-3-formyl-5-nitroindole has 3 rotatable bonds.
What is the molecular weight of 1-Boc-3-formyl-5-nitroindole?
The molecular weight of 1-Boc-3-formyl-5-nitroindole is 290.27 g/mol.
Is 1-Boc-3-formyl-5-nitroindole considered to be a canonical compound?
Yes, 1-Boc-3-formyl-5-nitroindole is considered a canonical compound in PubChem.
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