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49672-77-7 | 3-ISOTHIAZOLECARBONYL CHLORIDE
CAS No: 49672-77-7 Catalog No: AG006ZEH MDL No:
Product Description
Catalog Number:
AG006ZEH
Chemical Name:
3-ISOTHIAZOLECARBONYL CHLORIDE
CAS Number:
49672-77-7
Molecular Formula:
C4H2ClNOS
Molecular Weight:
147.5828
IUPAC Name:
1,2-thiazole-3-carbonyl chloride
InChI:
InChI=1S/C4H2ClNOS/c5-4(7)3-1-2-8-6-3/h1-2H
InChI Key:
FGGLAFQQOCBWMY-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccsn1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.955g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.576g/mol
Monoisotopic Mass:
146.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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