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1427395-43-4 | 4-Chloro-2-fluoro-6-methylbenzoic acid
CAS No: 1427395-43-4 Catalog No: AG01FOXA MDL No:
Product Description
Catalog Number:
AG01FOXA
Chemical Name:
4-Chloro-2-fluoro-6-methylbenzoic acid
CAS Number:
1427395-43-4
IUPAC Name:
4-chloro-2-fluoro-6-methylbenzoic acid
InChI:
InChI=1S/C8H6ClFO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
KTTCBEJZILTBIG-UHFFFAOYSA-N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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