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1315364-91-0 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-
CAS No: 1315364-91-0 Catalog No: AG000ZD1 MDL No:MFCD20482240
Product Description
Catalog Number:
AG000ZD1
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-
CAS Number:
1315364-91-0
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD20482240
IUPAC Name:
5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-5-1-2-11-6(10-5)4(3-9-11)7(12)13/h1-3H,(H,12,13)
InChI Key:
SAMKKKTWKGAXIC-UHFFFAOYSA-N
SMILES:
Clc1ccn2c(n1)c(cn2)C(=O)O
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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