2-bromo-N-(2-methyl-4-nitrophenyl)acetamide

2-bromo-N-(2-methyl-4-nitrophenyl)acetamide

CAS: 57339-08-9

Formula: C9H9BrN2O3

SMILES: CC1=C(NC(=O)CBr)C=CC(=C1)[N+]([O-])=O

IUPAC: 2-bromo-N-(2-methyl-4-nitrophenyl)acetamide

InChI: InChI=1S/C9H9BrN2O3/c1-6-4-7(12(14)15)2-3-8(6)11-9(13)5-10/h2-4H,5H2,1H3,(H,11,13)

Composition: C (39.58%), H (3.32%), Br (29.26%), N (10.26%), O (17.58%)

Molar Mass: 273.086

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.979655
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SGTLYUYMJBRATE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.02
Topological Polar Surface Area	72.24
Polarizability	21.78
Ring Count	1
Rotatable Bond Count	3

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