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7460-55-1 | Benzoic acid,2-(2-bromoacetyl)-, methyl ester
CAS No: 7460-55-1 Catalog No: AG005J47 MDL No:
Product Description
Catalog Number:
AG005J47
Chemical Name:
Benzoic acid,2-(2-bromoacetyl)-, methyl ester
CAS Number:
7460-55-1
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
IUPAC Name:
methyl 2-(2-bromoacetyl)benzoate
InChI:
InChI=1S/C10H9BrO3/c1-14-10(13)8-5-3-2-4-7(8)9(12)6-11/h2-5H,6H2,1H3
InChI Key:
YMYJFFPVXIIPGU-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccccc1C(=O)OC
NSC Number:
54396
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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