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1026818-88-1 | Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-chloro-
CAS No: 1026818-88-1 Catalog No: AG00083S MDL No:
Product Description
Catalog Number:
AG00083S
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-chloro-
CAS Number:
1026818-88-1
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
IUPAC Name:
7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-6-4(7(12)13)3-9-5-1-2-10-11(5)6/h1-3H,(H,12,13)
InChI Key:
NGONSCMDUUTFPL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2n(c1Cl)ncc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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