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1020039-12-6,MFCD23701114
Catalog No.:AA000680
1020039-12-6 | 7-Chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
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1g
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$1,354.00   $948.00
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Technical Information
Catalog Number:
AA000680
Chemical Name:
7-Chloro-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS Number:
1020039-12-6
Molecular Formula:
C6H4ClN3O
Molecular Weight:
169.5685
MDL Number:
MFCD23701114
IUPAC Name:
7-chloro-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C6H4ClN3O/c7-4-1-2-10-5(3-4)8-9-6(10)11/h1-3H,(H,9,11)
InChI Key:
RJGCGYRBLODQEG-UHFFFAOYSA-N
SMILES:
Clc1ccn2c(c1)n[nH]c2=O
Properties
Computed Properties
 
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.004g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.568g/mol
Monoisotopic Mass:
169.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Synonyms
 
7-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE 
1020039-12-6 
SCHEMBL20772757 
MFCD23701114 
ZINC95616398 
AKOS006310724 
7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-ol 
Literature
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