Basic information
- CAS
19143-30-7- Standard SMILES
CC(C)c1ccc(C(=O)O)cc1N(CCCl)CCCl- InChIKey
XEPBEGNCIIRJHW-UHFFFAOYSA-N- Molecular formula
- C14H19Cl2NO2
- Average molar mass
- 304.2 g/mol
- Monoisotopic mass
- 303.0792842
Names & identifiers
- Preferred name
- Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-isopropyl-
- IUPAC
- 3-[bis(2-chloroethyl)amino]-4-propan-2-ylbenzoic acid
Names & synonyms
BRN 2756407BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-4-ISOPROPYL-19143-30-73-(Bis(2-chloroethyl)amino)-4-isopropylbenzoic acidDTXSID10172661RefChem:327160DTXCID20951523-[bis(2-chloroethyl)amino]-4-(propan-2-yl)benzoic acid
Database identifiers
- CAS
19143-30-7- PubChem CID
- 29478
- DTXSID
DTXSID10172661- Nikkaji
- J73.873E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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