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1261892-00-5 | [1,1'-Biphenyl]-4-ol, 3-chloro-3'-fluoro-4'-methoxy-
CAS No: 1261892-00-5 Catalog No: AG000S2Y MDL No:MFCD18315600
Product Description
Catalog Number:
AG000S2Y
Chemical Name:
[1,1'-Biphenyl]-4-ol, 3-chloro-3'-fluoro-4'-methoxy-
CAS Number:
1261892-00-5
Molecular Formula:
C13H10ClFO2
Molecular Weight:
252.6687
MDL Number:
MFCD18315600
IUPAC Name:
2-chloro-4-(3-fluoro-4-methoxyphenyl)phenol
InChI:
InChI=1S/C13H10ClFO2/c1-17-13-5-3-9(7-11(13)15)8-2-4-12(16)10(14)6-8/h2-7,16H,1H3
InChI Key:
BGJSWYUYDPQDAA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)c1ccc(c(c1)Cl)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.669g/mol
Monoisotopic Mass:
252.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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