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1000698-98-5 | Cyclohexane, 1,1-difluoro-4-isocyano-
CAS No: 1000698-98-5 Catalog No: AG0000SU MDL No:MFCD25953976
Product Description
Catalog Number:
AG0000SU
Chemical Name:
Cyclohexane, 1,1-difluoro-4-isocyano-
CAS Number:
1000698-98-5
Molecular Formula:
C7H9F2N
Molecular Weight:
145.1499
MDL Number:
MFCD25953976
IUPAC Name:
1,1-difluoro-4-isocyanocyclohexane
InChI:
InChI=1S/C7H9F2N/c1-10-6-2-4-7(8,9)5-3-6/h6H,2-5H2
InChI Key:
DCLSKEZWHCFPKU-UHFFFAOYSA-N
SMILES:
FC1(F)CCC(CC1)[N+]#[C-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.153g/mol
Monoisotopic Mass:
145.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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