Basic information
- Standard SMILES
Cc1c(Br)ccc(N)c1C1=NOCC1- InChIKey
ICMSGNRMZFNBLN-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O
- Average molar mass
- 255.11 g/mol
- Monoisotopic mass
- 254.00547507
Names & identifiers
- Preferred name
- Benzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-
- IUPAC
- 4-bromo-2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylaniline
Names & synonyms
250592-93-94-bromo-2-(4,5-dihydroisoxazol-3-yl)-3-methylaniline4-bromo-2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylanilineBenzenamine, 4-bromo-2-(4,5-dihydro-3-isoxazolyl)-3-methyl-SCHEMBL702124DTXSID90431086ICMSGNRMZFNBLN-UHFFFAOYSA-N4-bromo-2-(4,5-dihydro-isoxazol-3-yl)-3-methylaniline4-bromo-2-(4,5-dihydroisoxazol-3-yl) -3-methylaniline4-bromo-2-(4,5-dihydro-isoxazol -3-yl)-3-methylaniline
Database identifiers
- CAS
250592-93-9- PubChem CID
- 9813747
- DTXSID
DTXSID90431086- EC Number
- 607-517-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
24 records
Linked notes
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