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150529-73-0 | Benzeneacetic acid, 3-bromo-, methyl ester
CAS No: 150529-73-0 Catalog No: AG001MOQ MDL No:MFCD06858764
Product Description
Catalog Number:
AG001MOQ
Chemical Name:
Benzeneacetic acid, 3-bromo-, methyl ester
CAS Number:
150529-73-0
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD06858764
IUPAC Name:
methyl 2-(3-bromophenyl)acetate
InChI:
InChI=1S/C9H9BrO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChI Key:
ULSSGHADTSRELG-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)Br
EC Number:
604-742-1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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