methyl 2-bromo-5-(bromomethyl)benzoate

methyl 2-bromo-5-(bromomethyl)benzoate

CAS: 90721-58-7

Formula: C9H8Br2O2

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

IUPAC: methyl 2-bromo-5-(bromomethyl)benzoate

InChI: InChI=1S/C9H8Br2O2/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4H,5H2,1H3

Composition: C (35.10%), H (2.62%), Br (51.89%), O (10.39%)

Molar Mass: 307.969

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	305.889105
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LRHPDLMVLCHAEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.56
Topological Polar Surface Area	26.3
Polarizability	22.41
Ring Count	1
Rotatable Bond Count	3

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