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115549-04-7 | Benzoic acid, 2,3,4-trichloro-5-fluoro-
CAS No: 115549-04-7 Catalog No: AG000G4C MDL No:MFCD03840470
Product Description
Catalog Number:
AG000G4C
Chemical Name:
Benzoic acid, 2,3,4-trichloro-5-fluoro-
CAS Number:
115549-04-7
Molecular Formula:
C7H2Cl3FO2
Molecular Weight:
243.4470
MDL Number:
MFCD03840470
IUPAC Name:
2,3,4-trichloro-5-fluorobenzoic acid
InChI:
InChI=1S/C7H2Cl3FO2/c8-4-2(7(12)13)1-3(11)5(9)6(4)10/h1H,(H,12,13)
InChI Key:
XADYKNXAUYNLFG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1Cl)Cl)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.91g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.439g/mol
Monoisotopic Mass:
241.91g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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