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Home > Bromides > 1403597-47-6
1403597-47-6 | 3-Bromo-5-chloro-2-methylbenzoic acid
CAS No: 1403597-47-6 Catalog No: AG01FD3M MDL No:MFCD24108597
Product Description
Catalog Number:
AG01FD3M
Chemical Name:
3-Bromo-5-chloro-2-methylbenzoic acid
CAS Number:
1403597-47-6
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD24108597
IUPAC Name:
3-bromo-5-chloro-2-methylbenzoic acid
InChI:
InChI=1S/C8H6BrClO2/c1-4-6(8(11)12)2-5(10)3-7(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
VXQHVUGUBRYXJJ-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c(c(c1)C(=O)O)C
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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