Basic information
- CAS
17528-53-9- Standard SMILES
O=C(O)COc1ccc(N(CCCl)CCCl)cc1- InChIKey
IVWVTSYBZDGRSH-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2NO3
- Average molar mass
- 292.15 g/mol
- Monoisotopic mass
- 291.0428987
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid
- IUPAC
- 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid
- English name
- 4-N,N-bis(2-chloroethyl)aminophenoxyacetic acid
- Molecular weight
- 0
Names & synonyms
17528-53-94-N,N-Bis(2-chloroethyl)aminophenoxyacetic acidACETIC ACID, (p-(BIS(2-CHLOROETHYL)AMINO)PHENOXY)-(p-(Bis(2-chloroethyl)amino)phenoxy)acetic acidp-N,N-Bis(2-chloroethyl)aminophenoxyacetic acidAcetic acid, (4-(bis(2-chloroethyl)amino)phenoxy)-(4-bis(2-chloroethyl)aminophenoxy)acetic acidNSC-42342Acetic acid, (4-bis(2-chloroethyl)amino)phenoxy-DTXSID00169964LUL2A38995CB-1360
Show more names
Acetic acid, [4-bis(2-chloroethyl)amino]phenoxy-Acetic acid, (p-[bis(2-chloroethyl)amino]phenoxy)-RefChem:999924-NNBCAPADTXCID0092455MP 571CCRIS 6873CB 1360
Database identifiers
- CAS
17528-53-9- PubChem CID
- 28580
- DTXSID
DTXSID00169964- UNII
- LUL2A38995
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- FDA UNII
- 2 A38995 · LUL2A38995
Related reactions
2 records
Compound notes
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