| CAS Number | 1221793-69-6 |
| Catalog Number | AG0016VU(AGN-PC-09PZCZ) |
| Chemical Name | 2-(5-Bromo-2-methoxyphenoxy)acetonitrile |
| IUPAC Name | 2-(5-bromo-2-methoxyphenoxy)acetonitrile |
| InChI | InChI=1S/C9H8BrNO2/c1-12-8-3-2-7(10)6-9(8)13-5-4-11/h2-3,6H,5H2,1H3 |
| InChI Key | PQWGGDKJXBFASE-UHFFFAOYSA-N |
| MDL Number | MFCD16036123 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | N#CCOC1=C(OC)C=CC(Br)=C1 |
| Synonyms | 1221793-69-6,
2-(5-BROMO-2-METHOXYPHENOXY)ACETONITRILE,
2-(3-Bromo-6-methoxy-phenoxy)acetonitrile,
ACMC-209ak6,
CTK4B2992,
DTXSID60682003,
ANW-17956,
ZINC65337134,
AKOS015834721,
(5-Bromo-2-methoxyphenoxy)acetonitrile,
AJ-115011,
TR-034925,
Z8602,
Acetonitrile, 2-(5-bromo-2-methoxyphenoxy)-,
B-3678,
I14-24761,
C9H8BrNO2,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.072g/mol |
| Monoisotopic Mass | 240.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number