| CAS Number | 89407-43-2 |
| Catalog Number | AG004NDG(AGN-PC-03XJIR) |
| Chemical Name | 4-bromo-2-ethoxybenzoic acid |
| IUPAC Name | 4-bromo-2-ethoxybenzoic acid |
| InChI | InChI=1S/C9H9BrO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | WNVOYJBTTPWDLA-UHFFFAOYSA-N |
| MDL Number | MFCD11651850 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | CCOC1=C(C=CC(=C1)Br)C(=O)O |
| Synonyms | 4-BROMO-2-ETHOXYBENZOIC ACID,
89407-43-2,
Benzoic acid, 4-bromo-2-ethoxy-,
ACMC-209r15,
SCHEMBL4584625,
CTK2J6376,
DTXSID90629865,
ANW-39303,
MFCD11651850,
ZINC37475143,
AKOS009393386,
AJ-94014,
TR-038273,
V8816,
B-4284,
I01-10918,
C9H9BrO3,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.072g/mol |
| Monoisotopic Mass | 243.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number