| CAS Number | 110732-06-4 |
| Catalog Number | AG0083D5(AGN-PC-0LGYF3) |
| Chemical Name | 3-chloro-4,5-diethoxybenzaldehyde |
| IUPAC Name | 3-chloro-4,5-diethoxybenzaldehyde |
| InChI | InChI=1S/C11H13ClO3/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2/h5-7H,3-4H2,1-2H3 |
| InChI Key | JAPWMUVMMRCXJL-UHFFFAOYSA-N |
| MDL Number | MFCD01169250 |
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.6721 |
| SMILES | CCOC1=C(OCC)C(Cl)=CC(C=O)=C1 |
| Synonyms | 3-chloro-4,5-diethoxybenzaldehyde,
110732-06-4,
AC1NHJW6,
CTK4A7038,
DTXSID50406351,
ZINC2738406,
ZX-CM016660,
MFCD01169250,
SBB019930,
STK346828,
AKOS000290623,
MCULE-3603090007,
AJ-44174,
DB-028526,
FT-0749203,
ST45145887,
EN300-153876,
W-8085,
ZINC02738406,
CID4766543,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.672g/mol |
| Monoisotopic Mass | 228.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number