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Home > Fluorides > 182276-42-2
182276-42-2 | Benzene, 1-isocyano-3-(trifluoromethyl)-
CAS No: 182276-42-2 Catalog No: AG0023JW MDL No:
Product Description
Catalog Number:
AG0023JW
Chemical Name:
Benzene, 1-isocyano-3-(trifluoromethyl)-
CAS Number:
182276-42-2
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
IUPAC Name:
1-isocyano-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4F3N/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H
InChI Key:
XUDAGRPFMIKMQK-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1cccc(c1)C(F)(F)F
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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