Home Nitriles Benzonitrile, 2-fluoro-3-(hydroxymethyl)-

Benzonitrile, 2-fluoro-3-(hydroxymethyl)-

CAS No.:
1261861-91-9
Catalog Number:
AG000S2G
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
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Product Description
Catalog Number:
AG000S2G
Chemical Name:
Benzonitrile, 2-fluoro-3-(hydroxymethyl)-
CAS Number:
1261861-91-9
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD18394036
IUPAC Name:
2-fluoro-3-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6FNO/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3,11H,5H2
InChI Key:
HZGKGFUFZFPGSI-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1F)C#N
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:
0.9  
Properties