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1306604-04-5 | 4-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CAS No: 1306604-04-5 Catalog No: AG01AIG3 MDL No:MFCD18839066
Product Description
Catalog Number:
AG01AIG3
Chemical Name:
4-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CAS Number:
1306604-04-5
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD18839066
IUPAC Name:
4-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C12H13N3/c1-2-4-12-11(3-1)10(5-6-13-12)9-7-14-15-8-9/h1-4,7-8,10,13H,5-6H2,(H,14,15)
InChI Key:
QEMNUCRXYBSWFH-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C(CCN2)c1c[nH]nc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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