| CAS Number | 1260799-75-4 |
| Catalog Number | AG01C177 |
| Chemical Name | 1-(5-Bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11BrO3/c1-15-9-3-2-7(12)6-8(9)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14) |
| InChI Key | DTTVBPUFHRGQAU-UHFFFAOYSA-N |
| MDL Number | MFCD11036992 |
| Molecular Formula | C11H11BrO3 |
| Molecular Weight | 271.1072 |
| SMILES | O=C(C1(CC1)C2=CC(Br)=CC=C2OC)O |
| Synonyms | 1-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid,
1260799-75-4,
1-(5-Bromo-2-methoxyphenyl)cyclopropanecarboxylic Acid,
SCHEMBL18512328,
ZINC71609628,
AKOS022564669,
SY207391,
MFCD11036992 (95%),
Z1509609880,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.11g/mol |
| Monoisotopic Mass | 269.989g/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
Certificate of Analysis
Lot Number