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N-(3,4-dichlorophenyl)-4-methyl-3-nitrobenzamide

HCID 711289
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Basic information

CAS
328258-58-8
Standard SMILES
Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]
InChIKey
GERDZOZONQODBD-UHFFFAOYSA-N
Molecular formula
C14H10Cl2N2O3
Average molar mass
325.1 g/mol
Monoisotopic mass
324.0068476

Names & identifiers

Preferred name
N-(3,4-dichlorophenyl)-4-methyl-3-nitrobenzamide
IUPAC
N-(3,4-dichlorophenyl)-4-methyl-3-nitrobenzamide
English name
N-(3,4-Dichlorophenyl)-4-methyl-3-nitrobenzamide
Molecular formula
C14H10Cl2N2O3
Molecular weight
325.15

Names & synonyms

N-(3,4-dichlorophenyl)-4-methyl-3-nitrobenzamideOprea1_651185AKOS002953397ST011070N-(3,4-dichlorophenyl)(4-methyl-3-nitrophenyl)carboxamideBenzamide, N-(3,4-dichlorophenyl)-4-methyl-3-nitro-

Database identifiers

CAS
328258-58-8
PubChem CID
711289
EC Number
140-959-3

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
402

Physicochemical properties

Boiling point
397.288 · 397.288±42.00 °C(Press: 760.00 Torr)(predicted)
Density
1.476 · 1.476±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

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