Home Other Building Blocks 5,5-difluoro-2-azepanone

5,5-difluoro-2-azepanone

CAS No.:
35196-96-4
Catalog Number:
AG01ELJL
Molecular Formula:
C6H9F2NO
Molecular Weight:
149.1386
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Product Description
Catalog Number:
AG01ELJL
Chemical Name:
5,5-difluoro-2-azepanone
CAS Number:
35196-96-4
Molecular Formula:
C6H9F2NO
Molecular Weight:
149.1386
MDL Number:
MFCD19222098
IUPAC Name:
5,5-difluoroazepan-2-one
InChI:
InChI=1S/C6H9F2NO/c7-6(8)2-1-5(10)9-4-3-6/h1-4H2,(H,9,10)
InChI Key:
VMXGOHLMBWKPTI-UHFFFAOYSA-N
SMILES:
O=C1NCCC(CC1)(F)F
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.065g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.141g/mol
Monoisotopic Mass:
149.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties