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100548-67-2 | 2H-Pyrazolo[3,4-b]quinoline, 4-chloro-2,3-dimethyl-
CAS No: 100548-67-2 Catalog No: AG0002B7 MDL No:
Product Description
Catalog Number:
AG0002B7
Chemical Name:
2H-Pyrazolo[3,4-b]quinoline, 4-chloro-2,3-dimethyl-
CAS Number:
100548-67-2
Molecular Formula:
C12H10ClN3
Molecular Weight:
231.6809
IUPAC Name:
4-chloro-2,3-dimethylpyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C12H10ClN3/c1-7-10-11(13)8-5-3-4-6-9(8)14-12(10)15-16(7)2/h3-6H,1-2H3
InChI Key:
YTRMSNHRUIHCPZ-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1C)c(Cl)c1c(n2)cccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.683g/mol
Monoisotopic Mass:
231.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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