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102422-56-0 | Benzene, 1-fluoro-3-(isocyanatomethyl)-
CAS No: 102422-56-0 Catalog No: AG0007G4 MDL No:MFCD02093692
Product Description
Catalog Number:
AG0007G4
Chemical Name:
Benzene, 1-fluoro-3-(isocyanatomethyl)-
CAS Number:
102422-56-0
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD02093692
IUPAC Name:
1-fluoro-3-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
InChI Key:
PHRJTGPFEAUEBC-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1)F
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.14g/mol
Monoisotopic Mass:
151.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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