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2491-37-4 | Ethanone, 2-bromo-1-(3-hydroxyphenyl)-
CAS No: 2491-37-4 Catalog No: AG002PUG MDL No:MFCD05664326
Product Description
Catalog Number:
AG002PUG
Chemical Name:
Ethanone, 2-bromo-1-(3-hydroxyphenyl)-
CAS Number:
2491-37-4
Molecular Formula:
C8H7BrO2
Molecular Weight:
215.0440
MDL Number:
MFCD05664326
IUPAC Name:
2-bromo-1-(3-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H7BrO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5H2
InChI Key:
IEPSGFQQGKPTPM-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.046g/mol
Monoisotopic Mass:
213.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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