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260435-53-8 | Ethanone, 2-bromo-1-(3,5-dibromo-2-hydroxy-4-methylphenyl)-
CAS No: 260435-53-8 Catalog No: AG002RHV MDL No:
Product Description
Catalog Number:
AG002RHV
Chemical Name:
Ethanone, 2-bromo-1-(3,5-dibromo-2-hydroxy-4-methylphenyl)-
CAS Number:
260435-53-8
Molecular Formula:
C9H7Br3O2
Molecular Weight:
386.8627
IUPAC Name:
2-bromo-1-(3,5-dibromo-2-hydroxy-4-methylphenyl)ethanone
InChI:
InChI=1S/C9H7Br3O2/c1-4-6(11)2-5(7(13)3-10)9(14)8(4)12/h2,14H,3H2,1H3
InChI Key:
QZTPMPVBLLWERK-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(Br)c(c(c1O)Br)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.798g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.865g/mol
Monoisotopic Mass:
383.8g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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