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14966-14-4 | Benzenepropanoic acid, 5-bromo-2-methyl-
CAS No: 14966-14-4 Catalog No: AG001LWL MDL No:
Product Description
Catalog Number:
AG001LWL
Chemical Name:
Benzenepropanoic acid, 5-bromo-2-methyl-
CAS Number:
14966-14-4
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
3-(5-bromo-2-methylphenyl)propanoic acid
InChI:
InChI=1S/C10H11BrO2/c1-7-2-4-9(11)6-8(7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChI Key:
RTMPEDTZHVKCHJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CCC(=O)O)Br
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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