Methyl 2-cyano-4-nitrobenzoate

HCID 10104417
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Basic information

Standard SMILES
COC(=O)c1ccc([N+](=O)[O-])cc1C#N
InChIKey
HMVDETRIOVTGTG-UHFFFAOYSA-N
Molecular formula
C9H6N2O4
Average molar mass
206.15 g/mol
Monoisotopic mass
206.03275668

Names & identifiers

Preferred name
Methyl 2-cyano-4-nitrobenzoate
IUPAC
methyl 2-cyano-4-nitrobenzoate

Names & synonyms

Methyl 2-cyano-4-nitrobenzoate1628431-64-0Benzoic acid, 2-cyano-4-nitro-, methyl esterMFCD00452666Methyl 2-cyano-4-nitro-benzoateSCHEMBL16050141HMVDETRIOVTGTG-UHFFFAOYSA-NCL9656AKOS027339642AS-46445Benzoicacid,2-cyano-4-nitro-,methylesterSY244117
Show more names
DB-430837CS-0100679EN300-7416778F512794Z2583146078

Database identifiers

PubChem CID
10104417

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
95.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15

Related reactions

4 records
New reaction record

Compound notes

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