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Home > Bromides > 1263376-33-5
1263376-33-5 | 5-Bromo-2-chloro-3-methylbenzoic acid
CAS No: 1263376-33-5 Catalog No: AG01FCZW MDL No:MFCD18379819
Product Description
Catalog Number:
AG01FCZW
Chemical Name:
5-Bromo-2-chloro-3-methylbenzoic acid
CAS Number:
1263376-33-5
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD18379819
IUPAC Name:
5-bromo-2-chloro-3-methylbenzoic acid
InChI:
InChI=1S/C8H6BrClO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
HEWZZEKYJDONOQ-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)C(=O)O)Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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