Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-
Basic information
- CAS
92318-13-3- Standard SMILES
O=C(O)CCCOc1ccc(N(CCCl)CCCl)cc1- InChIKey
TYQMDPHMWGNQLJ-UHFFFAOYSA-N- Molecular formula
- C14H19Cl2NO3
- Average molar mass
- 320.2 g/mol
- Monoisotopic mass
- 319.0741989
Names & identifiers
- Preferred name
- Butyric acid, 4-(p-(bis(2-chloroethyl)amino)phenoxy)-
- IUPAC
- 4-[4-[bis(2-chloroethyl)amino]phenoxy]butanoic acid
- English name
- BUTYRIC ACID, 4-(p-(BIS(2-CHLOROETHYL)AMINO)PHENOXY)-
- Molecular weight
- 0
Names & synonyms
92318-13-3BUTYRIC ACID, 4-(p-(BIS(2-CHLOROETHYL)AMINO)PHENOXY)-DTXSID60238963RefChem:1080486DTXCID10161454CB 1365BRN 28735614-(p-(Bis(2-chloroethyl)amino)phenoxy)butyric acidSCHEMBL267873404-{4-[bis(2-chloroethyl)amino]phenoxy}butanoic acid
Database identifiers
- CAS
92318-13-3- PubChem CID
- 56382
- DTXSID
DTXSID60238963
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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