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1250992-42-7 | 4-(1H-Pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CAS No: 1250992-42-7 Catalog No: AG00HHWR MDL No:MFCD15530231
Product Description
Catalog Number:
AG00HHWR
Chemical Name:
4-(1H-Pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CAS Number:
1250992-42-7
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD15530231
IUPAC Name:
4-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C12H13N3/c1-2-4-11-9(3-1)10(5-7-13-11)12-6-8-14-15-12/h1-4,6,8,10,13H,5,7H2,(H,14,15)
InChI Key:
VTHYMQJYAFJODD-UHFFFAOYSA-N
SMILES:
[nH]1ccc(n1)C1CCNc2c1cccc2
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:
2.1
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