Basic information
- CAS
15854-75-8- Standard SMILES
COc1ccc([N+](=O)[O-])cc1-c1ccccc1- InChIKey
DFVBQSMLKLCRCB-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 2-Methoxy-5-nitro-1,1'-biphenyl
- IUPAC
- 1-methoxy-4-nitro-2-phenylbenzene
- English name
- 2-Phenyl-4-nitroanisol
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
15854-75-82-phenyl-4-nitroanisol2-Methoxy-5-nitro-1,1'-biphenyl1-methoxy-4-nitro-2-phenylbenzene2-Phenyl-4-nitro-anisole2-Methoxy-5-nitro-biphenylSCHEMBL10933113SCHEMBL29408235DTXSID80423753DFVBQSMLKLCRCB-UHFFFAOYSA-NAKOS015889762AB16539
Show more names
2-PHENYL-4-NITRO-ANISOL2-PHENYL-4-NITROACETOPHENONE2-Methoxy-5-nitro-1,1-biphenyl1,1'-Biphenyl, 2-methoxy-5-nitro-
HS-7456AC-12226DB-021491
Database identifiers
- CAS
15854-75-8- PubChem CID
- 6425580
- DTXSID
DTXSID80423753- Nikkaji
- J3.231.035D
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 258
Physicochemical properties
- Melting point
- 95 · 95-96 °C
- Boiling point
- 355.7 · 355.7±30.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
成都瑞欧克科技有限公司028-64353063 · [email protected]
浙江虹舞科技有限公司19705058148 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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