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20667-02-1 | 1H-Azepine, 1-[2-(4-chlorophenoxy)ethyl]hexahydro-
CAS No: 20667-02-1 Catalog No: AG002IMI MDL No:
Product Description
Catalog Number:
AG002IMI
Chemical Name:
1H-Azepine, 1-[2-(4-chlorophenoxy)ethyl]hexahydro-
CAS Number:
20667-02-1
Molecular Formula:
C14H20ClNO
Molecular Weight:
253.7677
IUPAC Name:
1-[2-(4-chlorophenoxy)ethyl]azepane
InChI:
InChI=1S/C14H20ClNO/c15-13-5-7-14(8-6-13)17-12-11-16-9-3-1-2-4-10-16/h5-8H,1-4,9-12H2
InChI Key:
HDBJCXNKFKHIPT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCCN1CCCCCC1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.77g/mol
Monoisotopic Mass:
253.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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