1-(4-bromophenyl)-3,3-dimethylbutan-1-one

1-(4-bromophenyl)-3,3-dimethylbutan-1-one

CAS: 898764-38-0

Formula: C12H15BrO

SMILES: CC(C)(C)CC(=O)C1=CC=C(Br)C=C1

IUPAC: 1-(4-bromophenyl)-3,3-dimethylbutan-1-one

InChI: InChI=1S/C12H15BrO/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3

Composition: C (56.49%), H (5.93%), Br (31.32%), O (6.27%)

Molar Mass: 255.155

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.030628
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RMSYXFAVKLWJDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.34
Topological Polar Surface Area	17.07
Polarizability	24.14
Ring Count	1
Rotatable Bond Count	3

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	898764-38-0		$2,640.00-$4,410.00$2,640.00$4,410.00