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131986-28-2 | Pyridine, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-
CAS No: 131986-28-2 Catalog No: AG00100W MDL No:MFCD03066187
Product Description
Catalog Number:
AG00100W
Chemical Name:
Pyridine, 3-(4-chloro-1,2,5-thiadiazol-3-yl)-
CAS Number:
131986-28-2
Molecular Formula:
C7H4ClN3S
Molecular Weight:
197.6448
MDL Number:
MFCD03066187
IUPAC Name:
3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole
InChI:
InChI=1S/C7H4ClN3S/c8-7-6(10-12-11-7)5-2-1-3-9-4-5/h1-4H
InChI Key:
CMPNWGQBNRHIQZ-UHFFFAOYSA-N
SMILES:
Clc1nsnc1c1cccnc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.64g/mol
Monoisotopic Mass:
196.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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