methyl 3-(3-bromophenyl)-2,2-dimethylpropanoate

methyl 3-(3-bromophenyl)-2,2-dimethylpropanoate

CAS: 926625-05-0

Formula: C12H15BrO2

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

IUPAC: methyl 3-(3-bromophenyl)-2,2-dimethylpropanoate

InChI: InChI=1S/C12H15BrO2/c1-12(2,11(14)15-3)8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3

Composition: C (53.16%), H (5.58%), Br (29.47%), O (11.80%)

Molar Mass: 271.154

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.025543
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CLBQGIWZFJUYBJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.43
Topological Polar Surface Area	26.3
Polarizability	24.91
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	926625-05-0		$42.87-$834.78$42.87$54.22$75.66$243.37$834.78