| CAS Number | 951918-37-9 |
| Catalog Number | AG003EQY(AGN-PC-0WQUFK) |
| Chemical Name | 2-(2-Bromo-4-methoxyphenoxy)acetonitrile |
| IUPAC Name | 2-(2-bromo-4-methoxyphenoxy)acetonitrile |
| InChI | InChI=1S/C9H8BrNO2/c1-12-7-2-3-9(8(10)6-7)13-5-4-11/h2-3,6H,5H2,1H3 |
| InChI Key | PXHPYIIMQBZJKF-UHFFFAOYSA-N |
| MDL Number | MFCD09906448 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | N#CCOC1=CC=C(OC)C=C1Br |
| Synonyms | 2-(2-BROMO-4-METHOXYPHENOXY)ACETONITRILE,
951918-37-9,
ACMC-209rxw,
CTK5H7536,
DTXSID40627578,
ANW-40482,
MFCD09906448,
ZINC11834426,
AKOS015835570,
(2-Bromo-4-methoxyphenoxy)acetonitrile,
AJ-60230,
TR-038544,
V9593,
B-5794,
I14-24699,
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