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Home > Fluorides > 1021871-34-0
1021871-34-0 | Benzonitrile, 3-fluoro-5-(hydroxymethyl)-
CAS No: 1021871-34-0 Catalog No: AG0006UM MDL No:MFCD18394037
Product Description
Catalog Number:
AG0006UM
Chemical Name:
Benzonitrile, 3-fluoro-5-(hydroxymethyl)-
CAS Number:
1021871-34-0
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD18394037
IUPAC Name:
3-fluoro-5-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChI Key:
TVHYRQVLUQAAOV-UHFFFAOYSA-N
SMILES:
OCc1cc(C#N)cc(c1)F
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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