Home Other Building Blocks 2,2-DIFLUOROCYCLOHEXANE-1-CARBONITRILE

2,2-DIFLUOROCYCLOHEXANE-1-CARBONITRILE

CAS No.:
1554428-52-2
Catalog Number:
AG01DVNA
Molecular Formula:
C7H9F2N
Molecular Weight:
145.1499
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Product Description
Catalog Number:
AG01DVNA
Chemical Name:
2,2-DIFLUOROCYCLOHEXANE-1-CARBONITRILE
CAS Number:
1554428-52-2
Molecular Formula:
C7H9F2N
Molecular Weight:
145.1499
MDL Number:
MFCD26727118
IUPAC Name:
2,2-difluorocyclohexane-1-carbonitrile
InChI:
InChI=1S/C7H9F2N/c8-7(9)4-2-1-3-6(7)5-10/h6H,1-4H2
InChI Key:
JYJPINRCFRGLSI-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC1(F)F
Properties
Complexity:
168  
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:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties