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82547-30-6 | Benzenepropanoic acid, 5-bromo-2-methoxy-
CAS No: 82547-30-6 Catalog No: AG00575Y MDL No:MFCD09258907
Product Description
Catalog Number:
AG00575Y
Chemical Name:
Benzenepropanoic acid, 5-bromo-2-methoxy-
CAS Number:
82547-30-6
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD09258907
IUPAC Name:
3-(5-bromo-2-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H11BrO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChI Key:
RCLIOLQUIYTUPY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCC(=O)O)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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