1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone

1-(3-bromo-2-hydroxy-5-methylphenyl)ethanone

CAS: 56609-15-5

Formula: C9H9BrO2

SMILES: CC(=O)C1=CC(C)=CC(Br)=C1O

IUPAC: 1-(3-bromo-2-hydroxy-5-methylphenyl)ethan-1-one

InChI: InChI=1S/C9H9BrO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,1-2H3

Composition: C (47.19%), H (3.96%), Br (34.88%), O (13.97%)

Molar Mass: 229.073

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.978593
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ARARNHPPXNXRPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.11
Topological Polar Surface Area	37.3
Polarizability	19.3
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.99%	<7 Days	56609-15-5		$26.18-$537.63$26.18$60.78$228.14$342.21$537.63