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119410-05-8 | 5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-6-ol, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
CAS No: 119410-05-8 Catalog No: AG000IQ4 MDL No:
Product Description
Catalog Number:
AG000IQ4
Chemical Name:
5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-6-ol, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-
CAS Number:
119410-05-8
Molecular Formula:
C19H19ClN2O
Molecular Weight:
326.8200
IUPAC Name:
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-ol
InChI:
InChI=1S/C19H19ClN2O/c20-14-3-4-15-16(11-14)17(23)10-13-2-1-7-22-19(13)18(15)12-5-8-21-9-6-12/h1-4,7,11,17,21,23H,5-6,8-10H2
InChI Key:
UEQNVDYYIWHWNX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(O)Cc1c(C2=C2CCNCC2)nccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.824g/mol
Monoisotopic Mass:
326.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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