Home Other Building Blocks 1-(4-fluorophenyl)-1,4-diazepane

1-(4-fluorophenyl)-1,4-diazepane

CAS No.:
751468-47-0
Catalog Number:
AG00G3J8
Molecular Formula:
C11H15FN2
Molecular Weight:
194.2486
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Product Description
Catalog Number:
AG00G3J8
Chemical Name:
1-(4-fluorophenyl)-1,4-diazepane
CAS Number:
751468-47-0
Molecular Formula:
C11H15FN2
Molecular Weight:
194.2486
MDL Number:
MFCD08059822
IUPAC Name:
1-(4-fluorophenyl)-1,4-diazepane
InChI:
InChI=1S/C11H15FN2/c12-10-2-4-11(5-3-10)14-8-1-6-13-7-9-14/h2-5,13H,1,6-9H2
InChI Key:
ZJBBRYVFIKSKOQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCNCCC1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.122g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.253g/mol
Monoisotopic Mass:
194.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties