Basic information
- CAS
2450-27-3- Standard SMILES
COc1c(OCc2ccccc2)ccc(C=O)c1[N+](=O)[O-]- InChIKey
GWLAEBPGTQVKBA-UHFFFAOYSA-N- Molecular formula
- C15H13NO5
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.07937252
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde
- IUPAC
- 3-methoxy-2-nitro-4-phenylmethoxybenzaldehyde
- English name
- 4-BENZYLOXY-3-METHOXY-2-NITROBENZALDEHYDE
- Molecular formula
- C15H13NO5
- Molecular weight
- 287.27
Names & synonyms
4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde2450-27-3DTXSID50340125RefChem:288539DTXCID702912063-methoxy-2-nitro-4-phenylmethoxybenzaldehydeBenzaldehyde, 3-methoxy-2-nitro-4-(phenylmethoxy)-MFCD220557973-Methoxy-2-nitro-4-(phenylmethoxy)benzaldehydeSCHEMBL16560754-Benzyloxy-3-methoxy-2-nitrobenzaldehydeCAA45027
Show more names
AKOS025146754DS-8930SY1132794-benzyloxy-3-methoxy-2-nitro-benzaldehydeDB-205189Benzaldehyde, 4-benzyloxy-3-methoxy-2-nitro-4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde #F304934
Database identifiers
- CAS
2450-27-3- PubChem CID
- 561817
- DTXSID
DTXSID50340125- Nikkaji
- J1.402.194I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 111.5 · 111.5-112.5 °C
- Boiling point
- 487.8 · 487.8±45.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Aladdin Scientific[email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
Related reactions
8 records
Compound notes
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