Basic information
- CAS
848133-03-9- Standard SMILES
O=[N+]([O-])c1cc(Cl)c(OCc2ccccc2)c(Cl)c1- InChIKey
CZHBFNBACUUBMG-UHFFFAOYSA-N- Molecular formula
- C13H9Cl2NO3
- Average molar mass
- 298.12 g/mol
- Monoisotopic mass
- 296.99594851
Names & identifiers
- Preferred name
- 2-(Benzyloxy)-1,3-dichloro-5-nitrobenzene
- IUPAC
- 1,3-dichloro-5-nitro-2-phenylmethoxybenzene
- English name
- 2-(Benzyloxy)-1,3-dichloro-5-nitrobenzene
- Molecular formula
- C13H9Cl2NO3
- Molecular weight
- 298.12146
Names & synonyms
2-(Benzyloxy)-1,3-dichloro-5-nitrobenzene848133-03-9Benzene, 1,3-dichloro-5-nitro-2-(phenylmethoxy)-1,3-dichloro-5-nitro-2-phenylmethoxybenzeneSCHEMBL2814768DTXSID00732213CZHBFNBACUUBMG-UHFFFAOYSA-NG921631,3-Dichloro-5-nitro-2-(phenylmethoxy)benzene
Database identifiers
- CAS
848133-03-9- PubChem CID
- 59509764
- DTXSID
DTXSID00732213
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
济南景源生物科技有限公司18678301331 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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