4-benzoyl-2-nitroaniline

4-benzoyl-2-nitroaniline

CAS: 31431-19-3

Formula: C13H10N2O3

SMILES: NC1=CC=C(C=C1[N+]([O-])=O)C(=O)C1=CC=CC=C1

IUPAC: 4-benzoyl-2-nitroaniline

InChI: InChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2

Composition: C (64.46%), H (4.16%), N (11.56%), O (19.81%)

Molar Mass: 242.234

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	242.06914219
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NGOOFAMQPUEDJM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.65
Topological Polar Surface Area	86.23
Polarizability	24.98
Ring Count	2
Rotatable Bond Count	3

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