3-(4-bromo-3-nitrophenyl)-3-oxopropanenitrile

3-(4-bromo-3-nitrophenyl)-3-oxopropanenitrile

Formula: C9H5BrN2O3

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

IUPAC: 3-(4-bromo-3-nitrophenyl)-3-oxopropanenitrile

InChI: InChI=1S/C9H5BrN2O3/c10-7-2-1-6(9(13)3-4-11)5-8(7)12(14)15/h1-2,5H,3H2

Composition: C (40.18%), H (1.87%), Br (29.70%), N (10.41%), O (17.84%)

Molar Mass: 269.054

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.948355
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CZYKCKNRIKNACT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.73
Topological Polar Surface Area	84
Polarizability	20.7
Ring Count	1
Rotatable Bond Count	3

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C9H5BrN2O3		$2,060.00-$3,850.00$2,060.00$3,850.00