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1015846-76-0 | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 3-chloro-6-methyl-
CAS No: 1015846-76-0 Catalog No: AG0004WO MDL No:MFCD09971313
Product Description
Catalog Number:
AG0004WO
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 3-chloro-6-methyl-
CAS Number:
1015846-76-0
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
MDL Number:
MFCD09971313
IUPAC Name:
3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C8H6ClN3O2/c1-4-2-10-7-5(9)6(8(13)14)11-12(7)3-4/h2-3H,1H3,(H,13,14)
InChI Key:
PTHOBOPZSDCKOG-UHFFFAOYSA-N
SMILES:
Cc1cnc2n(c1)nc(c2Cl)C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.605g/mol
Monoisotopic Mass:
211.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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