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Home > Fluorides > 148890-53-3
148890-53-3 | Benzene, 1-fluoro-4-(isocyanomethyl)-
CAS No: 148890-53-3 Catalog No: AG001L9F MDL No:
Product Description
Catalog Number:
AG001L9F
Chemical Name:
Benzene, 1-fluoro-4-(isocyanomethyl)-
CAS Number:
148890-53-3
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
IUPAC Name:
1-fluoro-4-(isocyanomethyl)benzene
InChI:
InChI=1S/C8H6FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2
InChI Key:
DLDWOKWGDHSJOK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C[N+]#[C-]
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.141g/mol
Monoisotopic Mass:
135.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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