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1000339-93-4 | Benzonitrile, 4-fluoro-2-(hydroxymethyl)-
CAS No: 1000339-93-4 Catalog No: AG0000DD MDL No:MFCD09864693
Product Description
Catalog Number:
AG0000DD
Chemical Name:
Benzonitrile, 4-fluoro-2-(hydroxymethyl)-
CAS Number:
1000339-93-4
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD09864693
IUPAC Name:
4-fluoro-2-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,11H,5H2
InChI Key:
NJSSPVGHLXWQFD-UHFFFAOYSA-N
SMILES:
OCc1cc(F)ccc1C#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
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