Cas no 40131-99-5 (2-bromo-1-(3,4-dihydroxyphenyl)ethanone)
40131-99-5 structure
Product Name:2-bromo-1-(3,4-dihydroxyphenyl)ethanone
CAS No:40131-99-5
MF:C8H7BrO3
MW:231.043381929398
CID:1514964
PubChem ID:2769387
Update Time:2025-04-21
2-bromo-1-(3,4-dihydroxyphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-1-(3,4-dihydroxyphenyl)ethanone
- 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-, oxime
- 2-bromo-1-(3,4-dihydroxy-phenyl)-ethanone
- 2-Brom-3,4-dihydro-2H-naphthalin-1-on-oxim
- AGN-PC-00054R
- 2-Brom-3',4'-dihydroxyacetophenon
- 2-bromo-3,4-dihydronaphthalene-1(2H)-onoxime
- 2-Brom-1-(3,4-dihydroxy-phenyl)-aethanon
- 2-bromo-3,4-dihydro-2H-naphthalen-1-one oxime
- 2-Brom-1-oximino-tetralin
- CTK1F4742
- 2-Brom-tetralon-(1)-oxim
- 2-Brom-1-hydroximino-1,2,3,4-tetrahydro-naphthalin
- 2-bromo-3,4-dihydronaphthalen-l(2H)-one oxime
- 2-Bromo-3',4'-dihydroxyacetophenone
- SCHEMBL8343669
- OULYGWRDONPKAN-UHFFFAOYSA-N
- 40131-99-5
- 2-BROMO-1-(3,4-DIHYDROXYPHENYL)ETHAN-1-ONE
- G90742
- 2-bromo-1-(3,4-dihydroxyphenyl)ethanone
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- Inchi: 1S/C8H7BrO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
- InChI Key: OULYGWRDONPKAN-UHFFFAOYSA-N
- SMILES: BrCC(C1C=CC(=C(C=1)O)O)=O
Computed Properties
- Exact Mass: 229.95786g/mol
- Monoisotopic Mass: 229.95786g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 57.5?2
2-bromo-1-(3,4-dihydroxyphenyl)ethanone Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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