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87628-52-2 | 3-(4-Chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CAS No: 87628-52-2 Catalog No: AG004P1W MDL No:MFCD09763695
Product Description
Catalog Number:
AG004P1W
Chemical Name:
3-(4-Chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride
CAS Number:
87628-52-2
Molecular Formula:
C12H13Cl2N3
Molecular Weight:
270.1577
MDL Number:
MFCD09763695
IUPAC Name:
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride
InChI:
InChI=1S/C12H12ClN3.ClH/c13-9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12;/h1-4,14H,5-7H2,(H,15,16);1H
InChI Key:
DHNXYOPPZRYBMB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1n[nH]c2c1CNCC2.Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.157g/mol
Monoisotopic Mass:
269.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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