(3E)-4-(3-bromophenyl)but-3-en-2-one

(3E)-4-(3-bromophenyl)but-3-en-2-one

CAS: 65300-30-3

Formula: C10H9BrO

SMILES: CC(=O)C=CC1=CC=CC(Br)=C1

IUPAC: (3E)-4-(3-bromophenyl)but-3-en-2-one

InChI: InChI=1S/C10H9BrO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+

Composition: C (53.36%), H (4.03%), Br (35.50%), O (7.11%)

Molar Mass: 225.085

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.983678
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QZOCEEXEFIACMQ-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.23
Topological Polar Surface Area	17.07
Polarizability	20.26
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	65300-30-3		$137.66-$200.79$137.66$200.79