Home Other Building Blocks 1-(isocyanatomethyl)-3-(trifluoromethyl)benzene

1-(isocyanatomethyl)-3-(trifluoromethyl)benzene

CAS No.:
52794-59-9
Catalog Number:
AG01A1A4
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
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Product Description
Catalog Number:
AG01A1A4
Chemical Name:
1-(isocyanatomethyl)-3-(trifluoromethyl)benzene
CAS Number:
52794-59-9
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD18269642
IUPAC Name:
1-(isocyanatomethyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)8-3-1-2-7(4-8)5-13-6-14/h1-4H,5H2
InChI Key:
NMHKJLDUKBCONC-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1)C(F)(F)F
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties