Home Other Building Blocks 1-(2-isocyanatoethyl)-4-(trifluoromethoxy)benzene

1-(2-isocyanatoethyl)-4-(trifluoromethoxy)benzene

CAS No.:
730981-19-8
Catalog Number:
AG01BAK2
Molecular Formula:
C10H8F3NO2
Molecular Weight:
231.1712
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Product Description
Catalog Number:
AG01BAK2
Chemical Name:
1-(2-isocyanatoethyl)-4-(trifluoromethoxy)benzene
CAS Number:
730981-19-8
Molecular Formula:
C10H8F3NO2
Molecular Weight:
231.1712
MDL Number:
MFCD28397675
IUPAC Name:
1-(2-isocyanatoethyl)-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C10H8F3NO2/c11-10(12,13)16-9-3-1-8(2-4-9)5-6-14-7-15/h1-4H,5-6H2
InChI Key:
YUFZPBBBYFOWJK-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.174g/mol
Monoisotopic Mass:
231.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties