2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid
Basic information
- CAS
5513-42-8- Standard SMILES
O=C(O)COc1ccc([N+](=O)[O-])cc1CCl- InChIKey
BITNKBOUFJXLJF-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO5
- Average molar mass
- 245.61 g/mol
- Monoisotopic mass
- 245.0091
Names & identifiers
- Preferred name
- 2-[2-(Chloromethyl)-4-nitrophenoxy]acetic acid
- IUPAC
- 2-[2-(chloromethyl)-4-nitrophenoxy]acetic acid
Names & synonyms
2-[2-(chloromethyl)-4-nitrophenoxy]acetic acidDTXSID3012473095513-42-8[2-(Chloromethyl)-4-nitrophenoxy]acetic acid
Database identifiers
- CAS
5513-42-8- PubChem CID
- 676575
- DTXSID
DTXSID301247309
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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