2-bromo-3-methylcyclopent-2-en-1-one

2-bromo-3-methylcyclopent-2-en-1-one

CAS: 80963-36-6

Formula: C6H7BrO

SMILES: CC1=C(Br)C(=O)CC1

IUPAC: 2-bromo-3-methylcyclopent-2-en-1-one

InChI: InChI=1S/C6H7BrO/c1-4-2-3-5(8)6(4)7/h2-3H2,1H3

Composition: C (41.17%), H (4.03%), Br (45.65%), O (9.14%)

Molar Mass: 175.025

Atom Count: 15

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	173.968028
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MXQAQVMJIDGQDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.63
Topological Polar Surface Area	17.07
Polarizability	13.71
Ring Count	1
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	80963-36-6		$41.40-$189.41$41.40$70.38$189.41