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Home > Fluorides > 1260764-63-3
1260764-63-3 | Benzonitrile, 3-fluoro-2-(hydroxymethyl)-
CAS No: 1260764-63-3 Catalog No: AG000R5L MDL No:
Product Description
Catalog Number:
AG000R5L
Chemical Name:
Benzonitrile, 3-fluoro-2-(hydroxymethyl)-
CAS Number:
1260764-63-3
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
IUPAC Name:
3-fluoro-2-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6FNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,11H,5H2
InChI Key:
KICPVYAMZBCNJN-UHFFFAOYSA-N
SMILES:
OCc1c(C#N)cccc1F
Properties
Complexity:
174
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:
1
Isotope Atom Count:
0
Molecular Weight:
151.14g/mol
Monoisotopic Mass:
151.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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