| CAS Number | 736948-97-3 |
| Catalog Number | AG00JJ4P(AGN-PC-0WB8PO) |
| Chemical Name | 3-chloro-5-ethoxy-4-methoxybenzaldehyde |
| IUPAC Name | 3-chloro-5-ethoxy-4-methoxybenzaldehyde |
| InChI | InChI=1S/C10H11ClO3/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2/h4-6H,3H2,1-2H3 |
| InChI Key | KBTYBYHNPJXGES-UHFFFAOYSA-N |
| MDL Number | MFCD02256401 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | CCOC1=C(OC)C(Cl)=CC(C=O)=C1 |
| Synonyms | 3-chloro-5-ethoxy-4-methoxybenzaldehyde,
736948-97-3,
AC1M2E8J,
AC1Q362P,
CTK6G0760,
ZINC2767324,
BBL024042,
MFCD02256401,
SBB019929,
STK199273,
AKOS000290650,
MCULE-5338353388,
NCGC00323046-01,
ST45168896,
T9343,
EN300-08882,
AB01318447-02,
SR-01000049685,
SR-01000049685-1,
ZINC02767324,
CID2168573,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.645g/mol |
| Monoisotopic Mass | 214.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number