Home Nitriles 7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carbonitrile

7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carbonitrile

CAS No.:
1955553-05-5
Catalog Number:
AG01B5NW
Molecular Formula:
C7H7F2NO
Molecular Weight:
159.1334
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Product Description
Catalog Number:
AG01B5NW
Chemical Name:
7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carbonitrile
CAS Number:
1955553-05-5
Molecular Formula:
C7H7F2NO
Molecular Weight:
159.1334
MDL Number:
MFCD30181157
IUPAC Name:
7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carbonitrile
InChI:
InChI=1S/C7H7F2NO/c8-7(9)5-2-1-3-11-6(5,7)4-10/h5H,1-3H2
InChI Key:
KBDKICAGRJEDRE-UHFFFAOYSA-N
SMILES:
N#CC12OCCCC1C2(F)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.05g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.136g/mol
Monoisotopic Mass:
159.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties