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89739-54-8 | 1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-(4-methoxyphenoxy)-
CAS No: 89739-54-8 Catalog No: AG0041LQ MDL No:
Product Description
Catalog Number:
AG0041LQ
Chemical Name:
1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-(4-methoxyphenoxy)-
CAS Number:
89739-54-8
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
5-(4-methoxyphenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C17H19NO2/c1-19-14-6-8-15(9-7-14)20-17-12-18-11-10-13-4-2-3-5-16(13)17/h2-9,17-18H,10-12H2,1H3
InChI Key:
VOIFXRDZAJDFPB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC1CNCCc2c1cccc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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