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167288-63-3 | 4-(2H-1,2,3-Benzotriazol-2-yl)-1-benzyl-1,2,3,4-tetrahydroquinoline
CAS No: 167288-63-3 Catalog No: AG01F5FI MDL No:
Product Description
Catalog Number:
AG01F5FI
Chemical Name:
4-(2H-1,2,3-Benzotriazol-2-yl)-1-benzyl-1,2,3,4-tetrahydroquinoline
CAS Number:
167288-63-3
Molecular Formula:
C22H20N4
Molecular Weight:
340.4210
IUPAC Name:
4-(benzotriazol-2-yl)-1-benzyl-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C22H20N4/c1-2-8-17(9-3-1)16-25-15-14-22(18-10-4-7-13-21(18)25)26-23-19-11-5-6-12-20(19)24-26/h1-13,22H,14-16H2
InChI Key:
LCTCEQKNYPLVQP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC(c2c1cccc2)n1nc2c(n1)cccc2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.43g/mol
Monoisotopic Mass:
340.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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