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29363-53-9 | Benzoic acid, 4-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]-
CAS No: 29363-53-9 Catalog No: AG002Y5Y MDL No:
Product Description
Catalog Number:
AG002Y5Y
Chemical Name:
Benzoic acid, 4-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]-
CAS Number:
29363-53-9
Molecular Formula:
C9H5Cl2F4NO2S
Molecular Weight:
338.1061
IUPAC Name:
4-[[dichloro(fluoro)methyl]sulfanyl-(trifluoromethyl)amino]benzoic acid
InChI:
InChI=1S/C9H5Cl2F4NO2S/c10-8(11,12)19-16(9(13,14)15)6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)
InChI Key:
OHZCUEZSYBNWJF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N(C(F)(F)F)SC(Cl)(Cl)F
EC Number:
249-586-1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.935g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.098g/mol
Monoisotopic Mass:
336.935g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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