Basic information
- CAS
1836-73-3- Standard SMILES
Cc1cccc(Cl)c1Oc1ccc([N+](=O)[O-])cc1- InChIKey
NQQNPPIIAMHQFR-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO3
- Average molar mass
- 263.67 g/mol
- Monoisotopic mass
- 263.0349209
Names & identifiers
- Preferred name
- 3-Chloro-2-(4-nitrophenoxy)toluene
- IUPAC
- 1-chloro-3-methyl-2-(4-nitrophenoxy)benzene
- English name
- 3-chloro-2-(4-nitrophenoxy)toluene
- Molecular formula
- C13H10ClNO3
- Molecular weight
- 263.6764
Names & synonyms
3-Chloro-2-(4-nitrophenoxy)toluene1836-73-31-chloro-3-methyl-2-(4-nitrophenoxy)benzeneEINECS 217-403-4DTXSID90171450NQQNPPIIAMHQFR-UHFFFAOYSA-NMFCD28048862NS00026037Benzene, 1-chloro-3-methyl-2-(4-nitrophenoxy)-
Database identifiers
- CAS
1836-73-3- PubChem CID
- 74602
- DTXSID
DTXSID90171450- EC Number
- 217-403-4
- Nikkaji
- J199.653C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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