Registration Dossier

Reference substances

Reference substances

IUPAC name:
3-nitrobenzaldehyde

Inventory

EC number:
202-772-6
EC name:
3-nitrobenzaldehyde
CAS number:
99-61-6
CAS number:
99-61-6
Synonyms
Names:
Benzaldehyde, 3-nitro-
Identifier:
other: SMILES notation
C1=CC(=CC(=C1)[N+](=O)[O-])C=O
Identifier:
other: InChl
InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
Identifier:
other: SMILES notation
O=[N+]([O-])c1cc(ccc1)C=O
3-nitrobenzaldehyde

Molecular and structural information

Molecular formula:
C7H5NO3
Molecular weight:
151.119
SMILES notation:
[O-][N+](=O)c1cccc(C=O)c1
InChl:
InChI=1/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
Structural formula:
Chemical structure

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