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189283-52-1 | Benzoic acid, 5-chloro-4-fluoro-2-hydroxy-
CAS No: 189283-52-1 Catalog No: AG002I72 MDL No:MFCD20640444
Product Description
Catalog Number:
AG002I72
Chemical Name:
Benzoic acid, 5-chloro-4-fluoro-2-hydroxy-
CAS Number:
189283-52-1
Molecular Formula:
C7H4ClFO3
Molecular Weight:
190.5563
MDL Number:
MFCD20640444
IUPAC Name:
5-chloro-4-fluoro-2-hydroxybenzoic acid
InChI:
InChI=1S/C7H4ClFO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChI Key:
DDRJDFULMKUQRV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c(cc1O)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.554g/mol
Monoisotopic Mass:
189.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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