Home Other Building Blocks 4-(4-fluorophenyl)azepane hydrochloride

4-(4-fluorophenyl)azepane hydrochloride

CAS No.:
1432679-34-9
Catalog Number:
AG01A54M
Molecular Formula:
C12H17ClFN
Molecular Weight:
229.7215
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Product Description
Catalog Number:
AG01A54M
Chemical Name:
4-(4-fluorophenyl)azepane hydrochloride
CAS Number:
1432679-34-9
Molecular Formula:
C12H17ClFN
Molecular Weight:
229.7215
MDL Number:
MFCD24369234
IUPAC Name:
4-(4-fluorophenyl)azepane;hydrochloride
InChI:
InChI=1S/C12H16FN.ClH/c13-12-5-3-11(4-6-12)10-2-1-8-14-9-7-10;/h3-6,10,14H,1-2,7-9H2;1H
InChI Key:
KDRLSUHCFKNZRK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1CCNCCC1.Cl
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.103g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.723g/mol
Monoisotopic Mass:
229.103g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties