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86070-23-7 | [1,2,4]Triazolo[1,5-a]pyrimidine-6-carbonylchloride, 1,5-dihydro-5-oxo-
CAS No: 86070-23-7 Catalog No: AG004P94 MDL No:
Product Description
Catalog Number:
AG004P94
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine-6-carbonylchloride, 1,5-dihydro-5-oxo-
CAS Number:
86070-23-7
Molecular Formula:
C6H3ClN4O2
Molecular Weight:
198.5666
IUPAC Name:
5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl chloride
InChI:
InChI=1S/C6H3ClN4O2/c7-4(12)3-1-11-6(8-2-9-11)10-5(3)13/h1-2H,(H,8,9,10,13)
InChI Key:
GCAKEIOILSXJMS-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cn2[nH]cnc2nc1=O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.566g/mol
Monoisotopic Mass:
197.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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