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219873-06-0 | 4-Cyano-2-fluorobenzyl alcohol
CAS No: 219873-06-0 Catalog No: AG00385L MDL No:MFCD09037779
Product Description
Catalog Number:
AG00385L
Chemical Name:
4-Cyano-2-fluorobenzyl alcohol
CAS Number:
219873-06-0
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD09037779
IUPAC Name:
3-fluoro-4-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChI Key:
YGAURRAHPYQHDC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)CO
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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