2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile

2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile

CAS: 52200-18-7

Formula: C12H11BrN2O

SMILES: CN(C)C=C(C#N)C(=O)C1=CC=C(Br)C=C1

IUPAC: 2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile

InChI: InChI=1S/C12H11BrN2O/c1-15(2)8-10(7-14)12(16)9-3-5-11(13)6-4-9/h3-6,8H,1-2H3

Composition: C (51.63%), H (3.97%), Br (28.63%), N (10.04%), O (5.73%)

Molar Mass: 279.137

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.005476
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HFPTXOGUUFRBIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.49
Topological Polar Surface Area	44.1
Polarizability	24.95
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	52200-18-7		$343.62-$613.76$343.62$613.76