o-Toluic acid, 6-(bis(2-chloroethyl)amino)-, methyl ester
Basic information
- CAS
18583-82-9- Standard SMILES
COC(=O)c1c(C)cccc1N(CCCl)CCCl- InChIKey
JYOLRWHQHHSQGQ-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2NO2
- Average molar mass
- 290.18 g/mol
- Monoisotopic mass
- 289.0636342
Names & identifiers
- Preferred name
- o-Toluic acid, 6-(bis(2-chloroethyl)amino)-, methyl ester
- IUPAC
- methyl 2-[bis(2-chloroethyl)amino]-6-methylbenzoate
Names & synonyms
BRN 3096674o-Toluic acid, 6-(bis(2-chloroethyl)amino)-, methyl ester18583-82-96-(Bis(2-chloroethyl)amino)-o-toluic acid methyl esterDTXSID00171800Benzoic acid, 6-(bis(2-chloroethyl)amino)-2-methyl-, methyl esterRefChem:366566DTXCID4094291methyl 2-[bis(2-chloroethyl)amino]-6-methylbenzoate
Database identifiers
- CAS
18583-82-9- PubChem CID
- 205776
- DTXSID
DTXSID00171800- Nikkaji
- J85.052G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…