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Home > Fluorides > 1027513-73-0
1027513-73-0 | 2-(Trifluoromethoxy)phenethyl isothiocyanate
CAS No: 1027513-73-0 Catalog No: AG01FAJ4 MDL No:MFCD09800745
Product Description
Catalog Number:
AG01FAJ4
Chemical Name:
2-(Trifluoromethoxy)phenethyl isothiocyanate
CAS Number:
1027513-73-0
Molecular Formula:
C10H8F3NOS
Molecular Weight:
247.2368
MDL Number:
MFCD09800745
IUPAC Name:
1-(2-isothiocyanatoethyl)-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C10H8F3NOS/c11-10(12,13)15-9-4-2-1-3-8(9)5-6-14-7-16/h1-4H,5-6H2
InChI Key:
MVKNCMWERUKUTI-UHFFFAOYSA-N
SMILES:
S=C=NCCc1ccccc1OC(F)(F)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.235g/mol
Monoisotopic Mass:
247.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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