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Home > Fluorides > 132740-43-3
132740-43-3 | Benzene, 1-fluoro-4-(isocyanatomethyl)-
CAS No: 132740-43-3 Catalog No: AG001131 MDL No:MFCD00673062
Product Description
Catalog Number:
AG001131
Chemical Name:
Benzene, 1-fluoro-4-(isocyanatomethyl)-
CAS Number:
132740-43-3
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD00673062
IUPAC Name:
1-fluoro-4-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H6FNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI Key:
HHSIWJYERNCLKQ-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(cc1)F
Properties
Complexity:
158
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:
2.8
Literature
| Title | Journal |
|---|---|
| Structure-based design of novel boronic acid-based inhibitors of autotaxin. | Journal of medicinal chemistry 20110714 |
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