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59443-15-1 | 1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethanone
CAS No: 59443-15-1 Catalog No: AG0033KD MDL No:MFCD00857068
Product Description
Catalog Number:
AG0033KD
Chemical Name:
1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethanone
CAS Number:
59443-15-1
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD00857068
IUPAC Name:
1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3
InChI Key:
FFAVKFQPEOGJOA-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c(c(c1)C(=O)C)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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