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87412-89-3 | 4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
CAS No: 87412-89-3 Catalog No: AG004GEL MDL No:MFCD09901801
Product Description
Catalog Number:
AG004GEL
Chemical Name:
4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
87412-89-3
Molecular Formula:
C7H7ClN4
Molecular Weight:
182.6103
MDL Number:
MFCD09901801
IUPAC Name:
4-chloro-1,3-dimethylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C7H7ClN4/c1-4-5-6(8)9-3-10-7(5)12(2)11-4/h3H,1-2H3
InChI Key:
RKCUSLQIKDPCGC-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1c(Cl)ncn2)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.611g/mol
Monoisotopic Mass:
182.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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