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2740-81-0 | 2-CHLOROPHENYL ISOTHIOCYANATE
CAS No: 2740-81-0 Catalog No: AG003H36 MDL No:MFCD00004801
Product Description
Catalog Number:
AG003H36
Chemical Name:
2-CHLOROPHENYL ISOTHIOCYANATE
CAS Number:
2740-81-0
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.6314
MDL Number:
MFCD00004801
IUPAC Name:
1-chloro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H4ClNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:
DASSPOJBUMBXLU-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.626g/mol
Monoisotopic Mass:
168.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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