| CAS Number | 1373232-79-1 |
| Catalog Number | AG00134E(AGN-PC-0J2C9N) |
| Chemical Name | 1-(4-Bromo-3-methoxyphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-bromo-3-methoxyphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11BrO3/c1-15-9-6-7(2-3-8(9)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14) |
| InChI Key | MAMGNWLAWNIPSE-UHFFFAOYSA-N |
| MDL Number | MFCD22192463 |
| Molecular Formula | C11H11BrO3 |
| Molecular Weight | 271.1072 |
| SMILES | COC1=C(Br)C=CC(C2(C(O)=O)CC2)=C1 |
| Synonyms | 1-(4-Bromo-3-methoxyphenyl)cyclopropane-1-carboxylic acid,
1373232-79-1,
ACMC-209cbr,
CTK8B0613,
DTXSID10742949,
ANW-20245,
MFCD22192463,
ZINC84659224,
TC-108990,
B-9135,
Cyclopropanecarboxylic acid, 1-(4-bromo-3-methoxyphenyl)-,
MAMGNWLAWNIPSE-UHFFFAOYSA-N,
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| 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
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Certificate of Analysis
Lot Number