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Home > Bromides > 1261618-03-4
1261618-03-4 | Benzeneacetic acid, 3-bromo-2-methyl-
CAS No: 1261618-03-4 Catalog No: AG000RW7 MDL No:MFCD18392222
Product Description
Catalog Number:
AG000RW7
Chemical Name:
Benzeneacetic acid, 3-bromo-2-methyl-
CAS Number:
1261618-03-4
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD18392222
IUPAC Name:
2-(3-bromo-2-methylphenyl)acetic acid
InChI:
InChI=1S/C9H9BrO2/c1-6-7(5-9(11)12)3-2-4-8(6)10/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
BENXZZOWZYNPLT-UHFFFAOYSA-N
SMILES:
Cc1c(CC(=O)O)cccc1Br
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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