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13656-36-5 | Benzoic acid, 3,5-dichloro-2,4,6-trifluoro-
CAS No: 13656-36-5 Catalog No: AG00122S MDL No:MFCD00036040
Product Description
Catalog Number:
AG00122S
Chemical Name:
Benzoic acid, 3,5-dichloro-2,4,6-trifluoro-
CAS Number:
13656-36-5
Molecular Formula:
C7HCl2F3O2
Molecular Weight:
244.9828
MDL Number:
MFCD00036040
IUPAC Name:
3,5-dichloro-2,4,6-trifluorobenzoic acid
InChI:
InChI=1S/C7HCl2F3O2/c8-2-4(10)1(7(13)14)5(11)3(9)6(2)12/h(H,13,14)
InChI Key:
WOGODDMTAFMNSE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(Cl)c(c(c1F)Cl)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.931g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.978g/mol
Monoisotopic Mass:
243.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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