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87628-46-4 | Benzonitrile, 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-
CAS No: 87628-46-4 Catalog No: AG004HVV MDL No:
Product Description
Catalog Number:
AG004HVV
Chemical Name:
Benzonitrile, 4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-
CAS Number:
87628-46-4
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
IUPAC Name:
4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
InChI:
InChI=1S/C13H12N4/c14-7-9-1-3-10(4-2-9)13-11-8-15-6-5-12(11)16-17-13/h1-4,15H,5-6,8H2,(H,16,17)
InChI Key:
KYGPNBGNKWCQKK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1n[nH]c2c1CNCC2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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