5-(3-bromophenyl)-5-oxopentanenitrile

5-(3-bromophenyl)-5-oxopentanenitrile

CAS: 884504-60-3

Formula: C11H10BrNO

SMILES: BrC1=CC(=CC=C1)C(=O)CCCC#N

IUPAC: 5-(3-bromophenyl)-5-oxopentanenitrile

InChI: InChI=1S/C11H10BrNO/c12-10-5-3-4-9(8-10)11(14)6-1-2-7-13/h3-5,8H,1-2,6H2

Composition: C (52.41%), H (4.00%), Br (31.69%), N (5.56%), O (6.35%)

Molar Mass: 252.111

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.994577
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IDFOKMZILFRNAC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.56
Topological Polar Surface Area	40.86
Polarizability	22.22
Ring Count	1
Rotatable Bond Count	4

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	884504-60-3		$623.30-$1,999.85$623.30$955.65$1,999.85