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127142-69-2 | Benzene, 1,2,3-trichloro-4-isothiocyanato-
CAS No: 127142-69-2 Catalog No: AG000WPK MDL No:MFCD00041049
Product Description
Catalog Number:
AG000WPK
Chemical Name:
Benzene, 1,2,3-trichloro-4-isothiocyanato-
CAS Number:
127142-69-2
Molecular Formula:
C7H2Cl3NS
Molecular Weight:
238.5215
MDL Number:
MFCD00041049
IUPAC Name:
1,2,3-trichloro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl3NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChI Key:
NUAGIDXAYVLNEG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1Cl)Cl)Cl
Properties
Complexity:
205
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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