methyl 2-(4-bromophenyl)-2-methylpropanoate

methyl 2-(4-bromophenyl)-2-methylpropanoate

CAS: 154825-97-5

Formula: C11H13BrO2

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

IUPAC: methyl 2-(4-bromophenyl)-2-methylpropanoate

InChI: InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3

Composition: C (51.38%), H (5.10%), Br (31.08%), O (12.44%)

Molar Mass: 257.127

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.009893
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JTYDXPPFLQSEAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.83
Topological Polar Surface Area	26.3
Polarizability	23.08
Ring Count	1
Rotatable Bond Count	3

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