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25039-53-6 | Isothiazole, 4-chloro-
CAS No: 25039-53-6 Catalog No: AG002Q9N MDL No:MFCD17677238
Product Description
Catalog Number:
AG002Q9N
Chemical Name:
Isothiazole, 4-chloro-
CAS Number:
25039-53-6
Molecular Formula:
C3H2ClNS
Molecular Weight:
119.5727
MDL Number:
MFCD17677238
IUPAC Name:
4-chloro-1,2-thiazole
InChI:
InChI=1S/C3H2ClNS/c4-3-1-5-6-2-3/h1-2H
InChI Key:
YHRSRHKHEVJSBL-UHFFFAOYSA-N
SMILES:
Clc1csnc1
Properties
Complexity:
50.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.96g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.566g/mol
Monoisotopic Mass:
118.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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