Basic information
- CAS
588678-18-6- Standard SMILES
COc1cccc(C=O)c1OCc1cccc(Cl)c1- InChIKey
RNINKNNHHKSNBN-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 2-((3-Chlorophenyl)methoxy)-3-methoxybenzaldehyde
- IUPAC
- 2-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde
- English name
- 2-[(3-CHLOROBENZYL)OXY]-3-METHOXYBENZALDEHYDE
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
588678-18-62-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde2-((3-Chlorophenyl)methoxy)-3-methoxybenzaldehydeRefChem:2493062-[(3-chlorobenzyl)oxy]-3-methoxybenzaldehyde2-((3-Chlorobenzyl)oxy)-3-methoxybenzaldehydeMFCD03422406Oprea1_308752DTXSID20352790ALBB-001218BBL013646SBB016364
Show more names
ZINC00151839Benzaldehyde, 2-[(3-chlorophenyl)methoxy]-3-methoxy-2-[(3-chlorobenzyl)oxy]-3-methoxybenzaldehyde(SALTDATA: FREE)
STK408897AKOS000273746VS-03907CS-0313473ST50208706H21324F3075562-[(3-chlorophenyl)methoxy]-3-methoxy-benzaldehyde
Database identifiers
- CAS
588678-18-6- PubChem CID
- 735481
- DTXSID
DTXSID20352790
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- form
- solid
- InChI
- 1S/C15H13ClO3/c1-18-14-7-3-5-12(9-17)15(14)19-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
- InChIKey
- RNINKNNHHKSNBN-UHFFFAOYSA-N
- SMILES
- Clc1cc(ccc1)COc2c(cccc2C=O)OC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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