| CAS Number | 1702857-75-7 |
| Catalog Number | AG01C1OK |
| Chemical Name | 2-(3-bromo-4-cyanophenoxy)acetic acid |
| IUPAC Name | 2-(3-bromo-4-cyanophenoxy)acetic acid |
| InChI | InChI=1S/C9H6BrNO3/c10-8-3-7(14-5-9(12)13)2-1-6(8)4-11/h1-3H,5H2,(H,12,13) |
| InChI Key | QACUVBBPVMJMTG-UHFFFAOYSA-N |
| MDL Number | MFCD29047385 |
| Molecular Formula | C9H6BrNO3 |
| Molecular Weight | 256.0528 |
| SMILES | OC(COC1=CC(Br)=C(C#N)C=C1)=O |
| Synonyms | 2-(3-bromo-4-cyanophenoxy)acetic acid,
1702857-75-7,
AKOS030757492,
ZINC228287183,
FCH5691259,
BBV-56501985,
EN300-248117,
Z2238934620,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.055g/mol |
| Monoisotopic Mass | 254.953g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number