3-bromo-2-(dimethylamino)benzonitrile

3-bromo-2-(dimethylamino)benzonitrile

CAS: 1369814-04-9

Formula: C9H9BrN2

SMILES: CN(C)C1=C(C=CC=C1Br)C#N

IUPAC: 3-bromo-2-(dimethylamino)benzonitrile

InChI: InChI=1S/C9H9BrN2/c1-12(2)9-7(6-11)4-3-5-8(9)10/h3-5H,1-2H3

Composition: C (48.03%), H (4.03%), Br (35.50%), N (12.45%)

Molar Mass: 225.089

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.994911
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OCTAHSPYQRGTRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.83
Topological Polar Surface Area	27.03
Polarizability	19.76
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<9 Days	1369814-04-9		$431.25-$1,437.50$431.25$1,437.50