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1234616-26-2 | Cyclobutanepropanenitrile, 3,3-difluoro-β-oxo-
CAS No: 1234616-26-2 Catalog No: AG000KMH MDL No:MFCD17016044
Product Description
Catalog Number:
AG000KMH
Chemical Name:
Cyclobutanepropanenitrile, 3,3-difluoro-β-oxo-
CAS Number:
1234616-26-2
Molecular Formula:
C7H7F2NO
Molecular Weight:
159.1334
MDL Number:
MFCD17016044
IUPAC Name:
3-(3,3-difluorocyclobutyl)-3-oxopropanenitrile
InChI:
InChI=1S/C7H7F2NO/c8-7(9)3-5(4-7)6(11)1-2-10/h5H,1,3-4H2
InChI Key:
XZOQNSZPBYTVMA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CC(C1)(F)F
Properties
Complexity:
220
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:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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