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86770-80-1 | 3,3-Difluorocyclobutanecarbonitrile
CAS No: 86770-80-1 Catalog No: AG004N3C MDL No:MFCD10001482
Product Description
Catalog Number:
AG004N3C
Chemical Name:
3,3-Difluorocyclobutanecarbonitrile
CAS Number:
86770-80-1
Molecular Formula:
C5H5F2N
Molecular Weight:
117.0967
MDL Number:
MFCD10001482
IUPAC Name:
3,3-difluorocyclobutane-1-carbonitrile
InChI:
InChI=1S/C5H5F2N/c6-5(7)1-4(2-5)3-8/h4H,1-2H2
InChI Key:
RCXLAPBURAMYKG-UHFFFAOYSA-N
SMILES:
N#CC1CC(C1)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.039g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.099g/mol
Monoisotopic Mass:
117.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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