Home Other Building Blocks 5,5-difluoroazepan-4-one hydrochloride

5,5-difluoroazepan-4-one hydrochloride

CAS No.:
2097991-20-1
Catalog Number:
AG01EJZ4
Molecular Formula:
C6H10ClF2NO
Molecular Weight:
185.5995
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Product Description
Catalog Number:
AG01EJZ4
Chemical Name:
5,5-difluoroazepan-4-one hydrochloride
CAS Number:
2097991-20-1
Molecular Formula:
C6H10ClF2NO
Molecular Weight:
185.5995
MDL Number:
MFCD30004441
IUPAC Name:
5,5-difluoroazepan-4-one;hydrochloride
InChI:
InChI=1S/C6H9F2NO.ClH/c7-6(8)2-4-9-3-1-5(6)10;/h9H,1-4H2;1H
InChI Key:
UIORROLMLXUHLO-UHFFFAOYSA-N
SMILES:
O=C1CCNCCC1(F)F.Cl
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.599g/mol
Monoisotopic Mass:
185.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties