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1694778-76-1 | {5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methanesulfonyl chloride
CAS No: 1694778-76-1 Catalog No: AG01B3T4 MDL No:
Product Description
Catalog Number:
AG01B3T4
Chemical Name:
{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methanesulfonyl chloride
CAS Number:
1694778-76-1
Molecular Formula:
C7H10ClN3O2S
Molecular Weight:
235.6912
IUPAC Name:
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanesulfonyl chloride
InChI:
InChI=1S/C7H10ClN3O2S/c8-14(12,13)5-7-10-9-6-3-1-2-4-11(6)7/h1-5H2
InChI Key:
ALDBZNVVOCQRNI-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)Cc1nnc2n1CCCC2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.686g/mol
Monoisotopic Mass:
235.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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