| CAS Number | 1226808-68-9 |
| Catalog Number | AG0017N3(AGN-PC-0WNR1E) |
| Chemical Name | 3-Bromo-5-propoxybenzoic acid |
| IUPAC Name | 3-bromo-5-propoxybenzoic acid |
| InChI | InChI=1S/C10H11BrO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6H,2-3H2,1H3,(H,12,13) |
| InChI Key | OFSWAAVHABKEGJ-UHFFFAOYSA-N |
| MDL Number | MFCD16295104 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | c1(cc(cc(c1)C(=O)O)Br)OCCC |
| Synonyms | 3-BROMO-5-PROPOXYBENZOIC ACID,
1226808-68-9,
ACMC-209am0,
CTK4B3217,
DTXSID20682125,
Benzoic acid, 3-bromo-5-propoxy-,
ANW-18022,
MFCD16295104,
ZINC65337304,
AKOS015834276,
BBV-40274475,
AJ-115083,
AX8243439,
TR-034967,
Z8644,
B-2368,
I01-11022,
3-Bromo-5-propoxybenzoicacid,
C10H11BrO3,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number