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Home > Aldehydes > 1111084-78-6
1111084-78-6 | 2-Chloro-3'-fluoro-3,4'-dihydroxy-[1,1-biphenyl]-4-carboxaldehydeoxime
CAS No: 1111084-78-6 Catalog No: AG008Y4Q MDL No:
Product Description
Catalog Number:
AG008Y4Q
Chemical Name:
2-Chloro-3'-fluoro-3,4'-dihydroxy-[1,1-biphenyl]-4-carboxaldehydeoxime
CAS Number:
1111084-78-6
Molecular Formula:
C13H9ClFNO3
Molecular Weight:
281.6669
IUPAC Name:
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
InChI:
InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+
InChI Key:
LRRMQNGSYOUANY-OMCISZLKSA-N
SMILES:
O/N=C/c1ccc(c(c1O)Cl)c1ccc(c(c1)F)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.025g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.667g/mol
Monoisotopic Mass:
281.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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