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101948-27-0 | 3H-Pyrazolo[1,5-b][1,2,4]triazole, 7-chloro-2,6-dimethyl-
CAS No: 101948-27-0 Catalog No: AG000621 MDL No:
Product Description
Catalog Number:
AG000621
Chemical Name:
3H-Pyrazolo[1,5-b][1,2,4]triazole, 7-chloro-2,6-dimethyl-
CAS Number:
101948-27-0
Molecular Formula:
C6H7ClN4
Molecular Weight:
170.5996
IUPAC Name:
7-chloro-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
InChI:
InChI=1S/C6H7ClN4/c1-3-5(7)6-8-4(2)10-11(6)9-3/h9H,1-2H3
InChI Key:
NIJMWACJAMCRMF-UHFFFAOYSA-N
SMILES:
Cc1nc2n([nH]1)nc(c2Cl)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.6g/mol
Monoisotopic Mass:
170.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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