CAS
914349-22-7 Purity
98%
914349-22-7 Purity
98%
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3-Iodo-5-nitroindole-1-carboxylic acid tert-butyl ester
CAS
914349-32-9
Catalog Number
ACM914349329
Category
Other Products
Molecular Weight
388.16
Molecular Formula
C13H13IN2O4
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Specification
Synonyms
3-IODO-5-NITROINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;3-IODO-5-NITROINDOLE, N-BOC PROTECTED;TERT-BUTYL 3-IODO-5-NITRO-1H-INDOLE-1-CARBOXYLATE
IUPAC Name
tert-butyl 3-iodo-5-nitroindole-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])I
InChI Key
AHNPSRXYIVESJP-UHFFFAOYSA-N
Exact Mass
387.99200
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of tert-butyl 3-iodo-5-nitroindole-1-carboxylate?
The molecular formula is C13H13IN2O4.
What is the molecular weight of tert-butyl 3-iodo-5-nitroindole-1-carboxylate?
The molecular weight is 388.16 g/mol.
When was tert-butyl 3-iodo-5-nitroindole-1-carboxylate created in PubChem?
It was created on May 30, 2009.
What is the InChI of tert-butyl 3-iodo-5-nitroindole-1-carboxylate?
The InChI is InChI=1S/C13H13IN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-6-8(16(18)19)4-5-11(9)15/h4-7H,1-3H3.
What is the InChIKey of tert-butyl 3-iodo-5-nitroindole-1-carboxylate?
The InChIKey is AHNPSRXYIVESJP-UHFFFAOYSA-N.
How many hydrogen bond acceptors does tert-butyl 3-iodo-5-nitroindole-1-carboxylate have?
It has 4 hydrogen bond acceptors.
What is the topological polar surface area of tert-butyl 3-iodo-5-nitroindole-1-carboxylate?
The topological polar surface area is 77?2.
How many rotatable bond counts are present in tert-butyl 3-iodo-5-nitroindole-1-carboxylate?
There are 2 rotatable bond counts.
Is tert-butyl 3-iodo-5-nitroindole-1-carboxylate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the formal charge of tert-butyl 3-iodo-5-nitroindole-1-carboxylate?
The formal charge is 0.
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