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83508-62-7 | Carbamothioic chloride,methyl[3-(trifluoromethyl)phenyl]- (9CI)
CAS No: 83508-62-7 Catalog No: AG004V2C MDL No:
Product Description
Catalog Number:
AG004V2C
Chemical Name:
Carbamothioic chloride,methyl[3-(trifluoromethyl)phenyl]- (9CI)
CAS Number:
83508-62-7
Molecular Formula:
C9H7ClF3NS
Molecular Weight:
253.6718
IUPAC Name:
N-methyl-N-[3-(trifluoromethyl)phenyl]carbamothioyl chloride
InChI:
InChI=1S/C9H7ClF3NS/c1-14(8(10)15)7-4-2-3-6(5-7)9(11,12)13/h2-5H,1H3
InChI Key:
VOXCSWSUZAYCOQ-UHFFFAOYSA-N
SMILES:
ClC(=S)N(c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.667g/mol
Monoisotopic Mass:
252.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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