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22134-07-2 | 2,4,6-TRICHLOROPHENYL ISOTHIOCYANATE
CAS No: 22134-07-2 Catalog No: AG003FMV MDL No:MFCD00041053
Product Description
Catalog Number:
AG003FMV
Chemical Name:
2,4,6-TRICHLOROPHENYL ISOTHIOCYANATE
CAS Number:
22134-07-2
Molecular Formula:
C7H2Cl3NS
Molecular Weight:
238.5215
MDL Number:
MFCD00041053
IUPAC Name:
1,3,5-trichloro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:
DSXVZIOQROMOEF-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Cl)cc(cc1Cl)Cl
EC Number:
244-798-0
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.897g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.51g/mol
Monoisotopic Mass:
236.897g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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