1-(4-Methylphenyl)-2-nitroethanone

HCID 229744
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Basic information

CAS
62968-73-4
Standard SMILES
Cc1ccc(C(=O)C[N+](=O)[O-])cc1
InChIKey
CCNOEADSOPKDEL-UHFFFAOYSA-N
Molecular formula
C9H9NO3
Average molar mass
179.17 g/mol
Monoisotopic mass
179.05824315

Names & identifiers

Preferred name
1-(4-Methylphenyl)-2-nitroethanone
IUPAC
1-(4-methylphenyl)-2-nitroethanone

Names & synonyms

1-(4-methylphenyl)-2-nitroethanone62968-73-4DTXSID30281966RefChem:225475DTXCID10233120NSC236171-(4-methylphenyl)-2-nitroethan-1-oneSCHEMBL1042622-nitro-1-(p-tolyl)-ethanoneCCNOEADSOPKDEL-UHFFFAOYSA-NNSC-23617

Database identifiers

CAS
62968-73-4
PubChem CID
229744
DTXSID
DTXSID30281966
Nikkaji
J1.719.299J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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