Basic information
- CAS
24830-45-3- Standard SMILES
Cc1ccc(C(=O)O)c(C)c1N(CCCl)CCCl- InChIKey
HRDXLCGXZZRIQG-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2NO2
- Average molar mass
- 290.18 g/mol
- Monoisotopic mass
- 289.0636342
Names & identifiers
- Preferred name
- Benzoic acid, 3-(bis(2-chloroethyl)amino)-2,4-dimethyl-
- IUPAC
- 3-[bis(2-chloroethyl)amino]-2,4-dimethylbenzoic acid
- English name
- 3-[Bis(2-chloroethyl)amino]-2,4-dimethylbenzoic acid
- Molecular formula
- C13H17Cl2NO2
- Molecular weight
- 290.19
Names & synonyms
24830-45-3BRN 2746445BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-2,4-DIMETHYL-3-(Bis(2-chloroethyl)amino)-2,4-dimethylbenzoic acid3-[bis(2-chloroethyl)amino]-2,4-dimethylbenzoic acidDTXSID20179540RefChem:327156DTXCID80102031Benzoic acid, 3-[bis(2-chloroethyl)amino]-2,4-dimethyl-
Database identifiers
- CAS
24830-45-3- PubChem CID
- 32687
- DTXSID
DTXSID20179540- Nikkaji
- J73.871I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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