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306935-83-1 | Benzene, 1,5-dichloro-2-isothiocyanato-3-methyl-
CAS No: 306935-83-1 Catalog No: AG0030WA MDL No:MFCD00832696
Product Description
Catalog Number:
AG0030WA
Chemical Name:
Benzene, 1,5-dichloro-2-isothiocyanato-3-methyl-
CAS Number:
306935-83-1
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
MDL Number:
MFCD00832696
IUPAC Name:
1,5-dichloro-2-isothiocyanato-3-methylbenzene
InChI:
InChI=1S/C8H5Cl2NS/c1-5-2-6(9)3-7(10)8(5)11-4-12/h2-3H,1H3
InChI Key:
INEPHFOQAAZPOE-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)cc(cc1Cl)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.952g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.095g/mol
Monoisotopic Mass:
216.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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