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Home > Fluorides > 1048915-97-4
1048915-97-4 | 2,3-Difluoro-1-isocyanato-4-trifluoromethylbenzene
CAS No: 1048915-97-4 Catalog No: AG01F8X8 MDL No:
Product Description
Catalog Number:
AG01F8X8
Chemical Name:
2,3-Difluoro-1-isocyanato-4-trifluoromethylbenzene
CAS Number:
1048915-97-4
Molecular Formula:
C8H2F5NO
Molecular Weight:
223.0996
IUPAC Name:
2,3-difluoro-1-isocyanato-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H2F5NO/c9-6-4(8(11,12)13)1-2-5(7(6)10)14-3-15/h1-2H
InChI Key:
AYCLSQWIYVEPSA-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1F)F)C(F)(F)F
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.102g/mol
Monoisotopic Mass:
223.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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