Basic information
- CAS
52803-63-1- Standard SMILES
COc1cccc(C=O)c1OCc1ccccc1Cl- InChIKey
LMTABTLVHQVPKW-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 2-[(2-Chlorophenyl)methoxy]-3-methoxybenzaldehyde
- IUPAC
- 2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
- English name
- 2-[(2-CHLOROBENZYL)OXY]-3-METHOXYBENZALDEHYDE
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
52803-63-12-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde2-((2-Chlorophenyl)methoxy)-3-methoxybenzaldehydeRefChem:2492262-[(2-chlorobenzyl)oxy]-3-methoxybenzaldehyde2-((2-Chlorobenzyl)oxy)-3-methoxybenzaldehydeMFCD03422404benzaldehyde, 2-[(2-chlorophenyl)methoxy]-3-methoxy-Oprea1_573974DTXSID90352787LMTABTLVHQVPKW-UHFFFAOYSA-NALBB-001216
Show more names
AKOS B014108CHEMBRDG-BB 3014108ART-CHEM-BB B014108OTAVA-BB BB70188020092-[(2-chlorophenyl)methoxy]-3-methoxy-benzaldehyde2-[(2-chlorobenzyl)oxy]-3-methoxybenzaldehyde(SALTDATA: FREE)
BBL014033SBB012935STK411693AKOS000273734NS-04521ST4128576CS-0312988H21322
Database identifiers
- CAS
52803-63-1- PubChem CID
- 735477
- DTXSID
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/c1-18-14-8-4-6-11(9-17)15(14)19-10-12-5-2-3-7-13(12)16/h2-9H,10H2,1H3
- InChIKey
- LMTABTLVHQVPKW-UHFFFAOYSA-N
- SMILES
- Clc1c(cccc1)COc2c(cccc2C=O)OC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Hazard Codes
- Xi
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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