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Structure

4-Cyano-3-nitrobenzoic acid ethyl ester

CAS
321162-58-7
Catalog Number
ACM321162587
Category
Other Products
Molecular Weight
220.18
Molecular Formula
C10H8N2O4

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Specification

Synonyms
ETHYL 4-CYANO-3-NITROBENZOATE;BENZOIC ACID, 4-CYANO-3-NITRO-, ETHYL ESTER
IUPAC Name
ethyl 4-cyano-3-nitrobenzoate
Canonical SMILES
CCOC(=O)C1=CC(=C(C=C1)C#N)[N+](=O)[O-]
InChI Key
MGNXPEPCKZZLQP-UHFFFAOYSA-N
Boiling Point
400.79ºC at 760 mmHg
Flash Point
196.191ºC
Density
1.339 g/cm³
Exact Mass
220.04800
H-Bond Acceptor
5
H-Bond Donor
0
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