Phenanthridine-3-carboxylic acid, 6-chloro-, methyl ester
Basic information
- CAS
39180-47-7- Standard SMILES
COC(=O)c1ccc2c(c1)nc(Cl)c1ccccc12- InChIKey
LZUMLGDTBFOVPA-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO2
- Average molar mass
- 271.7 g/mol
- Monoisotopic mass
- 271.0400063
Names & identifiers
- Preferred name
- Phenanthridine-3-carboxylic acid, 6-chloro-, methyl ester
- IUPAC
- methyl 6-chlorophenanthridine-3-carboxylate
Names & synonyms
6-Chlorophenanthridine-3-carboxylic acid methyl esterPhenanthridine-3-carboxylic acid, 6-chloro-, methyl esterBRN 04112253-Carbometossi-6-clorofenantridina3-Carbometossi-6-clorofenantridina [Italian]39180-47-7DTXSID201924165-22-03-00418 (Beilstein Handbook Reference)RefChem:368582DTXCID30114907methyl 6-chlorophenanthridine-3-carboxylate
Database identifiers
- CAS
39180-47-7- PubChem CID
- 217668
- DTXSID
DTXSID20192416- Nikkaji
- J69.849K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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