Home Other Building Blocks 1H-1,4-Diazepine, 1-(4-fluorophenyl)hexahydro-, hydrochloride (1:1)

1H-1,4-Diazepine, 1-(4-fluorophenyl)hexahydro-, hydrochloride (1:1)

CAS No.:
263409-96-7
Catalog Number:
AG002STK
Molecular Formula:
C11H16ClFN2
Molecular Weight:
230.7095
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Product Description
Catalog Number:
AG002STK
Chemical Name:
1H-1,4-Diazepine, 1-(4-fluorophenyl)hexahydro-, hydrochloride (1:1)
CAS Number:
263409-96-7
Molecular Formula:
C11H16ClFN2
Molecular Weight:
230.7095
MDL Number:
MFCD08059822
IUPAC Name:
1-(4-fluorophenyl)-1,4-diazepane;dihydrochloride
InChI:
InChI=1S/C11H15FN2.2ClH/c12-10-2-4-11(5-3-10)14-8-1-6-13-7-9-14;;/h2-5,13H,1,6-9H2;2*1H
InChI Key:
VNHSMVFRBNWKDC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCNCCC1.Cl
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
267.169g/mol
Monoisotopic Mass:
266.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties