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89739-48-0 | 1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-phenoxy-
CAS No: 89739-48-0 Catalog No: AG004122 MDL No:
Product Description
Catalog Number:
AG004122
Chemical Name:
1H-3-Benzazepine, 2,3,4,5-tetrahydro-1-phenoxy-
CAS Number:
89739-48-0
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
5-phenoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C16H17NO/c1-2-7-14(8-3-1)18-16-12-17-11-10-13-6-4-5-9-15(13)16/h1-9,16-17H,10-12H2
InChI Key:
YPSCVOIRZZGNDZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OC1CNCCc2c1cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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