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1261958-08-0 | [1,1'-Biphenyl]-3-carbonitrile, 4-chloro-4'-hydroxy-
CAS No: 1261958-08-0 Catalog No: AG000S8I MDL No:MFCD18312915
Product Description
Catalog Number:
AG000S8I
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 4-chloro-4'-hydroxy-
CAS Number:
1261958-08-0
Molecular Formula:
C13H8ClNO
Molecular Weight:
229.6617
MDL Number:
MFCD18312915
IUPAC Name:
2-chloro-5-(4-hydroxyphenyl)benzonitrile
InChI:
InChI=1S/C13H8ClNO/c14-13-6-3-10(7-11(13)8-15)9-1-4-12(16)5-2-9/h1-7,16H
InChI Key:
PKQRGNDFSFBAKO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)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:
229.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.663g/mol
Monoisotopic Mass:
229.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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