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52727-99-8 | 2-Bromo-5′-chloro-2′-hydroxyacetophenone
CAS No: 52727-99-8 Catalog No: AG003GPA MDL No:MFCD03789076
Product Description
Catalog Number:
AG003GPA
Chemical Name:
2-Bromo-5′-chloro-2′-hydroxyacetophenone
CAS Number:
52727-99-8
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD03789076
IUPAC Name:
2-bromo-1-(5-chloro-2-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6BrClO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChI Key:
XZTLAMYFEVPMLG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(=O)CBr)Cl
Properties
Complexity:
174
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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