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115975-28-5 | Benzoic acid, 2-(bromomethyl)-, phenylmethyl ester
CAS No: 115975-28-5 Catalog No: AG000H98 MDL No:MFCD23135542
Product Description
Catalog Number:
AG000H98
Chemical Name:
Benzoic acid, 2-(bromomethyl)-, phenylmethyl ester
CAS Number:
115975-28-5
Molecular Formula:
C15H13BrO2
Molecular Weight:
305.1665
MDL Number:
MFCD23135542
IUPAC Name:
benzyl 2-(bromomethyl)benzoate
InChI:
InChI=1S/C15H13BrO2/c16-10-13-8-4-5-9-14(13)15(17)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
REPPXUCYHRQWKY-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1C(=O)OCc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.01g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.171g/mol
Monoisotopic Mass:
304.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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