Basic information
- Standard SMILES
O=C(NCCOCCOCCCCCl)OCc1c2ccccc2cc2ccccc12- InChIKey
KGVKQBCPCNTBHZ-UHFFFAOYSA-N- Molecular formula
- C24H28ClNO4
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1706861
Names & identifiers
- Preferred name
- {2-[2-(4-Chlorobutoxy)-ethoxy]ethyl}-carbamic acid anthracen-9-ylmethyl ester
- IUPAC
- anthracen-9-ylmethyl N-[2-[2-(4-chlorobutoxy)ethoxy]ethyl]carbamate
Names & synonyms
SCHEMBL997029KGVKQBCPCNTBHZ-UHFFFAOYSA-N{2-[2-(4-Chlorobutoxy)-ethoxy]-ethyl}-carbamic acid anthracen-9-ylmethyl ester{2-[2-(4-Chlorobutoxy)-ethoxy]ethyl}-carbamic acid anthracen-9-ylmethyl ester
Database identifiers
- PubChem CID
- 10025685
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 470
Related reactions
17 records
Linked notes
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