methyl 2-(4-bromo-3-methylphenyl)acetate

methyl 2-(4-bromo-3-methylphenyl)acetate

CAS: 885681-93-6

Formula: C10H11BrO2

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

IUPAC: methyl 2-(4-bromo-3-methylphenyl)acetate

InChI: InChI=1S/C10H11BrO2/c1-7-5-8(3-4-9(7)11)6-10(12)13-2/h3-5H,6H2,1-2H3

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	YFTGXSFZJYWMNC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.8
Topological Polar Surface Area	26.3
Polarizability	21.2
Ring Count	1
Rotatable Bond Count	3

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