Benzoic acid,4-(hexahydro-1H-azepin-1-yl)-3-nitro-

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Catalog Number
ACM92109030
Product Name
Benzoic acid,4-(hexahydro-1H-azepin-1-yl)-3-nitro-
Structure
Structure
CAS
92109-03-0
Category
Heterocyclic Organic Compound
Synonyms
ZINC03884578, CID7062426, 92109-03-0
IUPAC Name
4-(azepan-1-yl)-3-nitrobenzoate
Molecular Weight
264.28
Molecular Formula
C13H16N2O4
Canonical SMILES
C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
InChI Key
NLOLIKPXLGXANL-UHFFFAOYSA-M
Boiling Point
462ºC at 760mmHg
Flash Point
233.2ºC
Density
1.296g/cm³
Exact Mass
264.11100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
0
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