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114040-07-2 | Pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride, 5,7-dimethyl-
CAS No: 114040-07-2 Catalog No: AG000ADM MDL No:MFCD03421567
Product Description
Catalog Number:
AG000ADM
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride, 5,7-dimethyl-
CAS Number:
114040-07-2
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
MDL Number:
MFCD03421567
IUPAC Name:
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
InChI:
InChI=1S/C9H8ClN3O/c1-5-3-6(2)13-9(12-5)7(4-11-13)8(10)14/h3-4H,1-2H3
InChI Key:
ZLYWPJMEKCWUEG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)n2c(n1)c(cn2)C(=O)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.633g/mol
Monoisotopic Mass:
209.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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