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850799-79-0 | 2-Propen-1-one, 3-(4-bromophenyl)-1-(5-fluoro-2-hydroxyphenyl)-, (2E)-
CAS No: 850799-79-0 Catalog No: AG004RQK MDL No:
Product Description
Catalog Number:
AG004RQK
Chemical Name:
2-Propen-1-one, 3-(4-bromophenyl)-1-(5-fluoro-2-hydroxyphenyl)-, (2E)-
CAS Number:
850799-79-0
Molecular Formula:
C15H10BrFO2
Molecular Weight:
321.1411
IUPAC Name:
3-(4-bromophenyl)-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C15H10BrFO2/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,19H
InChI Key:
CEOPKJYFPQQHCO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)/C=C/C(=O)c1cc(F)ccc1O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.985g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.145g/mol
Monoisotopic Mass:
319.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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