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101386-50-9 | Ethanone, 2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]-
CAS No: 101386-50-9 Catalog No: AG0004CK MDL No:
Product Description
Catalog Number:
AG0004CK
Chemical Name:
Ethanone, 2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]-
CAS Number:
101386-50-9
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
IUPAC Name:
2-bromo-1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone
InChI:
InChI=1S/C10H11BrO3/c11-6-10(14)7-1-2-9(13)8(5-7)3-4-12/h1-2,5,12-13H,3-4,6H2
InChI Key:
GXQSMITUBDTJAG-UHFFFAOYSA-N
SMILES:
OCCc1cc(ccc1O)C(=O)CBr
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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