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Home > Fluorides > 1416351-86-4
1416351-86-4 | 2-Methyl-1-trifluoromethyl-propylisocyanate
CAS No: 1416351-86-4 Catalog No: AG01FAYS MDL No:MFCD22566330
Product Description
Catalog Number:
AG01FAYS
Chemical Name:
2-Methyl-1-trifluoromethyl-propylisocyanate
CAS Number:
1416351-86-4
Molecular Formula:
C6H8F3NO
Molecular Weight:
167.1290
MDL Number:
MFCD22566330
IUPAC Name:
1,1,1-trifluoro-2-isocyanato-3-methylbutane
InChI:
InChI=1S/C6H8F3NO/c1-4(2)5(10-3-11)6(7,8)9/h4-5H,1-2H3
InChI Key:
RRVCQRINVGGJNY-UHFFFAOYSA-N
SMILES:
CC(C(C(F)(F)F)N=C=O)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.131g/mol
Monoisotopic Mass:
167.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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