| CAS Number | 855198-27-5 |
| Catalog Number | AG008HKS(AGN-PC-0WNRQV) |
| Chemical Name | 3-Bromo-5-ethoxybenzoic acid |
| IUPAC Name | 3-bromo-5-ethoxybenzoic acid |
| InChI | InChI=1S/C9H9BrO3/c1-2-13-8-4-6(9(11)12)3-7(10)5-8/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | DMIGIIGQWXKUKM-UHFFFAOYSA-N |
| MDL Number | MFCD17015802 |
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 245.0700 |
| SMILES | c1(cc(cc(c1)C(=O)O)Br)OCC |
| Synonyms | 3-BROMO-5-ETHOXYBENZOIC ACID,
855198-27-5,
ACMC-209q6b,
3-Bromo-5-ethoxy-benzoic acid,
SCHEMBL2279445,
CTK5F5159,
DTXSID80682126,
DMIGIIGQWXKUKM-UHFFFAOYSA-N,
Benzoic acid, 3-bromo-5-ethoxy-,
ANW-38193,
MFCD17015802,
ZINC65337306,
AKOS015834274,
AJ-115084,
TR-038009,
ST24041909,
Z0896,
B-4856,
I01-11020,
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 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number