Home Other Building Blocks Benzene, 2-isocyanato-1-methoxy-4-(trifluoromethyl)-

Benzene, 2-isocyanato-1-methoxy-4-(trifluoromethyl)-

CAS No.:
16588-75-3
Catalog Number:
AG001WES
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
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Product Description
Catalog Number:
AG001WES
Chemical Name:
Benzene, 2-isocyanato-1-methoxy-4-(trifluoromethyl)-
CAS Number:
16588-75-3
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
MDL Number:
MFCD07644613
IUPAC Name:
2-isocyanato-1-methoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6F3NO2/c1-15-8-3-2-6(9(10,11)12)4-7(8)13-5-14/h2-4H,1H3
InChI Key:
YMQVJIXUIXHEGG-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(ccc1OC)C(F)(F)F
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties