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1813-21-4 | 1-Pentanone, 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-
CAS No: 1813-21-4 Catalog No: AG0022TI MDL No:
Product Description
Catalog Number:
AG0022TI
Chemical Name:
1-Pentanone, 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-
CAS Number:
1813-21-4
Molecular Formula:
C11H12BrFO2
Molecular Weight:
275.1142
IUPAC Name:
1-(3-bromo-5-fluoro-2-hydroxyphenyl)pentan-1-one
InChI:
InChI=1S/C11H12BrFO2/c1-2-3-4-10(14)8-5-7(13)6-9(12)11(8)15/h5-6,15H,2-4H2,1H3
InChI Key:
KFMNJJWMOQVEJF-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1cc(F)cc(c1O)Br
NSC Number:
88510
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.117g/mol
Monoisotopic Mass:
274g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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