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68840-79-9

68840-79-9 | 2-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-1H-AZEPINE

CAS No: 68840-79-9 Catalog No: AG006GHX MDL No:

Product Description

Catalog Number:
AG006GHX
Chemical Name:
2-[(4-CHLOROPHENYL)METHYL]HEXAHYDRO-1H-AZEPINE
CAS Number:
68840-79-9
Molecular Formula:
C13H18ClN
Molecular Weight:
223.7417
IUPAC Name:
2-[(4-chlorophenyl)methyl]azepane
InChI:
InChI=1S/C13H18ClN/c14-12-7-5-11(6-8-12)10-13-4-2-1-3-9-15-13/h5-8,13,15H,1-4,9-10H2
InChI Key:
OFYXLEPTLFZDDA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CC1CCCCCN1

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.113g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.744g/mol
Monoisotopic Mass:
223.113g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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