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1261901-36-3 | [1,1'-Biphenyl]-3-carbonitrile, 4-chloro-4'-hydroxy-3'-methoxy-
CAS No: 1261901-36-3 Catalog No: AG000S4G MDL No:MFCD18315212
Product Description
Catalog Number:
AG000S4G
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 4-chloro-4'-hydroxy-3'-methoxy-
CAS Number:
1261901-36-3
Molecular Formula:
C14H10ClNO2
Molecular Weight:
259.6877
MDL Number:
MFCD18315212
IUPAC Name:
2-chloro-5-(4-hydroxy-3-methoxyphenyl)benzonitrile
InChI:
InChI=1S/C14H10ClNO2/c1-18-14-7-10(3-5-13(14)17)9-2-4-12(15)11(6-9)8-16/h2-7,17H,1H3
InChI Key:
ZBLVLJOORLJUFQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)c1ccc(c(c1)C#N)Cl
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.689g/mol
Monoisotopic Mass:
259.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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