methyl 3-(2-bromoacetyl)benzoate

methyl 3-(2-bromoacetyl)benzoate

CAS: 27475-19-0

Formula: C10H9BrO3

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

IUPAC: methyl 3-(2-bromoacetyl)benzoate

InChI: InChI=1S/C10H9BrO3/c1-14-10(13)8-4-2-3-7(5-8)9(12)6-11/h2-5H,6H2,1H3

Composition: C (46.72%), H (3.53%), Br (31.08%), O (18.67%)

Molar Mass: 257.083

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.973507
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QOUUCORIWWWPLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.22
Topological Polar Surface Area	43.37
Polarizability	21.31
Ring Count	1
Rotatable Bond Count	4

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