4-(4-Iodo-2-methylanilino)-4-oxobut-2-enoic acid
Basic information
- CAS
37904-04-4- Standard SMILES
Cc1cc(I)ccc1NC(=O)C=CC(=O)O- InChIKey
LTVGRMWGWKEUHQ-UHFFFAOYSA-N- Molecular formula
- C11H10INO3
- Average molar mass
- 331.11 g/mol
- Monoisotopic mass
- 330.97054
Names & identifiers
- Preferred name
- 4-(4-Iodo-2-methylanilino)-4-oxobut-2-enoic acid
- IUPAC
- 4-(4-iodo-2-methylanilino)-4-oxobut-2-enoic acid
Names & synonyms
37904-04-44-(4-iodo-2-methylanilino)-4-oxobut-2-enoic acidDTXSID201208936AKOS0302529654-(4-iodo-2-methyl-anilino)-4-oxo-but-2-enoic acid4-[(4-Iodo-2-methylphenyl)amino]-4-oxo-2-butenoic acid
Database identifiers
- CAS
37904-04-4- PubChem CID
- 708353
- DTXSID
DTXSID201208936
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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