Basic information
- CAS
49675-78-7- Standard SMILES
O=Nc1c(O)[nH]c2ccc(Br)cc12- InChIKey
APYQTLASEQODSC-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O2
- Average molar mass
- 241.04 g/mol
- Monoisotopic mass
- 239.95344
Names & identifiers
- Preferred name
- 5-Bromo-3-(hydroxyamino)indol-2-one
- IUPAC
- 5-bromo-3-nitroso-1H-indol-2-ol
- English name
- (3Z)-5-Bromo-1H-indole-2,3-dione 3-oxime
- Molecular formula
- C8H5BrN2O2
- Molecular weight
- 0
Names & synonyms
49675-78-75-Bromo-3-(hydroxyimino)indolin-2-one5-bromo-3-(hydroxyamino)indol-2-one(3Z)-5-bromo-1H-indole-2,3-dione 3-oxime5-bromo-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one5-Bromo-1H-indole-2,3-dione 3-oxime5-bromo-3-nitroso-1H-indol-2-ol900516-52-1CBDivE_012787SCHEMBL6315587SCHEMBL6322987DTXSID10420856
Show more names
5-BROMOISATIN-3-OXIME
APYQTLASEQODSC-UHFFFAOYSA-N5-bromo-2,3-indoledione 3-oximeMFCD00102141STL373900AKOS000582949AKOS022170648AKOS025248295SB65930
Database identifiers
- CAS
49675-78-7- PubChem CID
- 780669
- DTXSID
DTXSID10420856- EC Number
- 192-556-7
- Nikkaji
- J497.766A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
MOLEKULA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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