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87838-57-1 | [1,2,3]Triazolo[1,5-a]pyridine-3-carbonylchloride
CAS No: 87838-57-1 Catalog No: AG004ENI MDL No:
Product Description
Catalog Number:
AG004ENI
Chemical Name:
[1,2,3]Triazolo[1,5-a]pyridine-3-carbonylchloride
CAS Number:
87838-57-1
Molecular Formula:
C7H4ClN3O
Molecular Weight:
181.5792
IUPAC Name:
triazolo[1,5-a]pyridine-3-carbonyl chloride
InChI:
InChI=1S/C7H4ClN3O/c8-7(12)6-5-3-1-2-4-11(5)10-9-6/h1-4H
InChI Key:
CVPXSOSVLWVNSY-UHFFFAOYSA-N
SMILES:
ClC(=O)c1nnn2c1cccc2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.579g/mol
Monoisotopic Mass:
181.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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