methyl 2-(bromomethyl)-3-chlorobenzoate

methyl 2-(bromomethyl)-3-chlorobenzoate

CAS: 188187-03-3

Formula: C9H8BrClO2

SMILES: COC(=O)C1=CC=CC(Cl)=C1CBr

IUPAC: methyl 2-(bromomethyl)-3-chlorobenzoate

InChI: InChI=1S/C9H8BrClO2/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-4H,5H2,1H3

Composition: C (41.02%), H (3.06%), Br (30.32%), Cl (13.45%), O (12.14%)

Molar Mass: 263.52

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.93962
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BZXFVKQUKUJTIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.74
Topological Polar Surface Area	26.3
Polarizability	21.32
Ring Count	1
Rotatable Bond Count	3

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