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19241-34-0 | Benzene, 1-chloro-2-isothiocyanato-3-methyl-
CAS No: 19241-34-0 Catalog No: AG002FX7 MDL No:MFCD00039643
Product Description
Catalog Number:
AG002FX7
Chemical Name:
Benzene, 1-chloro-2-isothiocyanato-3-methyl-
CAS Number:
19241-34-0
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00039643
IUPAC Name:
1-chloro-2-isothiocyanato-3-methylbenzene
InChI:
InChI=1S/C8H6ClNS/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
InChI Key:
MLQPKPCDKLACIG-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)cccc1Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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