1-Chloro-2-(4-nitrophenoxy)benzene
Basic information
- CAS
2091-61-4- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccccc2Cl)cc1- InChIKey
YRXPWHHZVCKCLN-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO3
- Average molar mass
- 249.65 g/mol
- Monoisotopic mass
- 249.0192708
Names & identifiers
- Preferred name
- 1-Chloro-2-(4-nitrophenoxy)benzene
- IUPAC
- 1-chloro-2-(4-nitrophenoxy)benzene
- English name
- 2-chloro-1-(4-nitrophenoxy)benzene
- Molecular formula
- C12H8ClNO3
- Molecular weight
- 249.65
Names & synonyms
1-Chloro-2-(4-nitrophenoxy)benzene2091-61-4Benzene, 1-chloro-2-(4-nitrophenoxy)-2-Chloro-1-(4-nitrophenoxy)benzeneMFCD017272962-Chlorophenyl 4'-nitrophenyl ether2'-Chloro-4-nitrobiphenyl etherEINECS 218-243-81-(2-Chlorophenoxy)-4-nitrobenzeneBRN 1883196ETHER, o-CHLOROPHENYL p-NITROPHENYLMUY53Z6PZF
Show more names
2'-chloro-4-nitrodiphenylether1-Nitro-4-(2-chlorophenoxy)benzeneo-Chlorophenyl(p-nitrophenyl) ether2-Chlorophenyl-4'-nitrophenyl ether @1000 μg/mL in Isooctane
p-(Chlorophenoxy)-nitrobenzeneSCHEMBL6901140CHEMBL2270115SCHEMBL27873041DTXSID601750662-Chloro-4a(2)-nitrodiphenyl ether2-Chlorophenyl-4'-nitrophenyl etherBS-22044
Database identifiers
- CAS
2091-61-4- PubChem CID
- 16408
- DTXSID
DTXSID60175066- ChEMBL
CHEMBL2270115- UNII
- MUY53Z6PZF
- EC Number
- 218-243-8
- Nikkaji
- J75.047F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- FDA UNII
- 9701 FBBA · FD9701FBBA
Related reactions
1 records
Compound notes
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