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2491-39-6 | Ethanone, 2-bromo-1-(2,4-dihydroxyphenyl)-
CAS No: 2491-39-6 Catalog No: AG002PUE MDL No:MFCD03789098
Product Description
Catalog Number:
AG002PUE
Chemical Name:
Ethanone, 2-bromo-1-(2,4-dihydroxyphenyl)-
CAS Number:
2491-39-6
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD03789098
IUPAC Name:
2-bromo-1-(2,4-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C8H7BrO3/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,10-11H,4H2
InChI Key:
RAULLGKGLGXMOM-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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