Home Other Building Blocks 1,1-difluoro-4-isocyanatocyclohexane

1,1-difluoro-4-isocyanatocyclohexane

CAS No.:
1246210-02-5
Catalog Number:
AG01B3GA
Molecular Formula:
C7H9F2NO
Molecular Weight:
161.1493
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Product Description
Catalog Number:
AG01B3GA
Chemical Name:
1,1-difluoro-4-isocyanatocyclohexane
CAS Number:
1246210-02-5
Molecular Formula:
C7H9F2NO
Molecular Weight:
161.1493
MDL Number:
MFCD24229585
IUPAC Name:
1,1-difluoro-4-isocyanatocyclohexane
InChI:
InChI=1S/C7H9F2NO/c8-7(9)3-1-6(2-4-7)10-5-11/h6H,1-4H2
InChI Key:
DMMOKMVFVOULFR-UHFFFAOYSA-N
SMILES:
O=C=NC1CCC(CC1)(F)F
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.065g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.152g/mol
Monoisotopic Mass:
161.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties