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100743-00-8 | 1H-Pyrazolo[3,4-b]quinoline, 4-chloro-3-methyl-
CAS No: 100743-00-8 Catalog No: AG0002QZ MDL No:
Product Description
Catalog Number:
AG0002QZ
Chemical Name:
1H-Pyrazolo[3,4-b]quinoline, 4-chloro-3-methyl-
CAS Number:
100743-00-8
Molecular Formula:
C11H8ClN3
Molecular Weight:
217.6543
IUPAC Name:
4-chloro-3-methyl-2H-pyrazolo[3,4-b]quinoline
InChI:
InChI=1S/C11H8ClN3/c1-6-9-10(12)7-4-2-3-5-8(7)13-11(9)15-14-6/h2-5H,1H3,(H,13,14,15)
InChI Key:
YGUHVTJIAZNXPY-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1c(Cl)c1c(n2)cccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.656g/mol
Monoisotopic Mass:
217.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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