methyl 3-(3-bromophenyl)propanoate

methyl 3-(3-bromophenyl)propanoate

CAS: 151583-29-8

Formula: C10H11BrO2

SMILES: COC(=O)CCC1=CC=CC(Br)=C1

IUPAC: methyl 3-(3-bromophenyl)propanoate

InChI: InChI=1S/C10H11BrO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3

Composition: C (49.41%), H (4.56%), Br (32.87%), O (13.16%)

Molar Mass: 243.1

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.994243
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DJJHVPBMUQLOCB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.36
Topological Polar Surface Area	26.3
Polarizability	21.27
Ring Count	1
Rotatable Bond Count	4

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99.11%	<7 Days	151583-29-8		$24.31-$1,594.18$24.31$48.62$120.62$481.53$1,594.18

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95%	<5 Days	151583-29-8		$31.53-$426.22$31.53$141.23$214.37$426.22