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ethyl 4-bromo-2-methylbenzoate

ethyl 4-bromo-2-methylbenzoate

CAS: 220389-34-4

Formula: C10H11BrO2

SMILES: CCOC(=O)C1=CC=C(Br)C=C1C

IUPAC: ethyl 4-bromo-2-methylbenzoate

InChI: InChI=1S/C10H11BrO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3

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 UWDMTHJPTMJZNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.5
Topological Polar Surface Area 26.3
Polarizability 21.17
Ring Count 1
Rotatable Bond Count 3

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