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176103-90-5 | 1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CAS No: 176103-90-5 Catalog No: AG01EUDM MDL No:MFCD00968896
Product Description
Catalog Number:
AG01EUDM
Chemical Name:
1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CAS Number:
176103-90-5
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
MDL Number:
MFCD00968896
IUPAC Name:
1-(benzotriazol-1-ylmethyl)-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C16H16N4/c1-3-9-15-13(6-1)7-5-11-19(15)12-20-16-10-4-2-8-14(16)17-18-20/h1-4,6,8-10H,5,7,11-12H2
InChI Key:
OKKOPCJIVFKIPE-UHFFFAOYSA-N
SMILES:
C1Cc2ccccc2N(C1)Cn1nnc2c1cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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