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76855-03-3 | 1-Propene, 3-chloro-1-isothiocyanato-
CAS No: 76855-03-3 Catalog No: AG005HJF MDL No:
Product Description
Catalog Number:
AG005HJF
Chemical Name:
1-Propene, 3-chloro-1-isothiocyanato-
CAS Number:
76855-03-3
Molecular Formula:
C4H4ClNS
Molecular Weight:
133.5993
IUPAC Name:
3-chloro-1-isothiocyanatoprop-1-ene
InChI:
InChI=1S/C4H4ClNS/c5-2-1-3-6-4-7/h1,3H,2H2
InChI Key:
NYFSGZTZZAYKQO-UHFFFAOYSA-N
SMILES:
ClCC=CN=C=S
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.975g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.593g/mol
Monoisotopic Mass:
132.975g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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