| CAS Number | 712294-48-9 |
| Catalog Number | AG00IC5O |
| Chemical Name | 3-Chloro-4-ethoxy-5-methoxybenzoic acid |
| IUPAC Name | 3-chloro-4-ethoxy-5-methoxybenzoic acid |
| InChI | InChI=1S/C10H11ClO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5H,3H2,1-2H3,(H,12,13) |
| InChI Key | JVMOVETVCDRYIV-UHFFFAOYSA-N |
| MDL Number | MFCD05739841 |
| Molecular Formula | C10H11ClO4 |
| Molecular Weight | 230.6449 |
| SMILES | CCOC1=C(OC)C=C(C(O)=O)C=C1Cl |
| Synonyms | 3-chloro-4-ethoxy-5-methoxybenzoic acid,
712294-48-9,
AC1LIABQ,
AC1Q35M7,
SCHEMBL1457711,
CTK6G0155,
ZINC3887546,
MFCD05739841,
SBB042640,
STK180286,
AKOS000270967,
MCULE-9815209628,
NE13075,
5-Chloro-4-ethoxy-3-methoxybenzoic acid,
EN300-08919,
SR-01000284942,
SR-01000284942-1,
3-chloro-4-ethoxy-5-methoxybenzoic acid, AldrichCPR,
CID900812,
AH-487/42820068,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.644g/mol |
| Monoisotopic Mass | 230.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number