Basic information
- CAS
68138-34-1- Standard SMILES
COC(=O)NC1(C)C=C(N(C(=O)[O-])c2ccccc2)C=CC1.O=C(O)c1nc(Cl)ccc1Cl- InChIKey
AIQCGVFRNSDPBM-UHFFFAOYSA-M- Molecular formula
- C22H20Cl2N3O6-
- Average molar mass
- 493.3 g/mol
- Monoisotopic mass
- 492.0729158
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate
- IUPAC
- 3,6-dichloropyridine-2-carboxylic acid;N-[3-(methoxycarbonylamino)-3-methylcyclohexa-1,5-dien-1-yl]-N-phenylcarbamate
Names & synonyms
2-Pyridinecarboxylic acid, 3,6-dichloro-, mixt. with 3-((methoxycarbonyl)amino)phenyl(3-methylphenyl)carbamate68138-34-1
Database identifiers
- CAS
68138-34-1- PubChem CID
- 155014
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- -1
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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