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Home > Fluorides > 1261951-45-4
1261951-45-4 | [1,1'-Biphenyl]-3-carbonitrile, 2-fluoro-4'-hydroxy-
CAS No: 1261951-45-4 Catalog No: AG000S90 MDL No:MFCD18312840
Product Description
Catalog Number:
AG000S90
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 2-fluoro-4'-hydroxy-
CAS Number:
1261951-45-4
Molecular Formula:
C13H8FNO
Molecular Weight:
213.2071
MDL Number:
MFCD18312840
IUPAC Name:
2-fluoro-3-(4-hydroxyphenyl)benzonitrile
InChI:
InChI=1S/C13H8FNO/c14-13-10(8-15)2-1-3-12(13)9-4-6-11(16)7-5-9/h1-7,16H
InChI Key:
XEXWPWIUOVCEIJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1F)c1ccc(cc1)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.211g/mol
Monoisotopic Mass:
213.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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