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1263274-67-4 | Benzoic acid, 5-chloro-2-fluoro-4-methyl-
CAS No: 1263274-67-4 Catalog No: AG000SLF MDL No:MFCD18426002
Product Description
Catalog Number:
AG000SLF
Chemical Name:
Benzoic acid, 5-chloro-2-fluoro-4-methyl-
CAS Number:
1263274-67-4
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD18426002
IUPAC Name:
5-chloro-2-fluoro-4-methylbenzoic acid
InChI:
InChI=1S/C8H6ClFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
YNXLNFQOANWRQC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Cl)c(cc1F)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:
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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