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51719-66-5 | 3-Bromo-5-methylphenylacetic acid
CAS No: 51719-66-5 Catalog No: AG01FHAS MDL No:
Product Description
Catalog Number:
AG01FHAS
Chemical Name:
3-Bromo-5-methylphenylacetic acid
CAS Number:
51719-66-5
IUPAC Name:
2-(3-bromo-5-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9BrO2/c1-6-2-7(5-9(11)12)4-8(10)3-6/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
CLTIMCXGBQJJIQ-UHFFFAOYSA-N
Properties
Complexity:
170
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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