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89738-92-1 | 1H-3-Benzazepine, 1-(3-chlorophenoxy)-2,3,4,5-tetrahydro-
CAS No: 89738-92-1 Catalog No: AG0041LV MDL No:
Product Description
Catalog Number:
AG0041LV
Chemical Name:
1H-3-Benzazepine, 1-(3-chlorophenoxy)-2,3,4,5-tetrahydro-
CAS Number:
89738-92-1
Molecular Formula:
C16H16ClNO
Molecular Weight:
273.7573
IUPAC Name:
5-(3-chlorophenoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C16H16ClNO/c17-13-5-3-6-14(10-13)19-16-11-18-9-8-12-4-1-2-7-15(12)16/h1-7,10,16,18H,8-9,11H2
InChI Key:
FLSBQILUUNXTLC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)OC1CNCCc2c1cccc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.76g/mol
Monoisotopic Mass:
273.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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