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1171476-07-5 | 2H-Pyrazolo[4,3-c]pyridine, 4,5,6,7-tetrahydro-2-phenyl-, hydrochloride (1:2)
CAS No: 1171476-07-5 Catalog No: AG000DSC MDL No:MFCD10686815
Product Description
Catalog Number:
AG000DSC
Chemical Name:
2H-Pyrazolo[4,3-c]pyridine, 4,5,6,7-tetrahydro-2-phenyl-, hydrochloride (1:2)
CAS Number:
1171476-07-5
Molecular Formula:
C12H15Cl2N3
Molecular Weight:
272.1736
MDL Number:
MFCD10686815
IUPAC Name:
2-phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
InChI:
InChI=1S/C12H13N3.ClH/c1-2-4-11(5-3-1)15-9-10-8-13-7-6-12(10)14-15;/h1-5,9,13H,6-8H2;1H
InChI Key:
TZUIXGOGVZQKBD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1cc2c(n1)CCNC2.Cl.Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.715g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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