| CAS Number | 80171-34-2 |
| Catalog Number | AG003E2M(AGN-PC-0WNO1D) |
| Chemical Name | 1-Bromo-2-(ethoxymethyl)benzene |
| IUPAC Name | 1-bromo-2-(ethoxymethyl)benzene |
| InChI | InChI=1S/C9H11BrO/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6H,2,7H2,1H3 |
| InChI Key | IRJIHLOLKDSXAJ-UHFFFAOYSA-N |
| MDL Number | MFCD09972176 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | c1(c(cccc1)COCC)Br |
| Synonyms | 1-BROMO-2-(ETHOXYMETHYL)BENZENE,
80171-34-2,
ACMC-209pj0,
2-bromo-ethoxymethyl-benzene,
SCHEMBL9419149,
CTK5E7545,
DTXSID60601719,
IRJIHLOLKDSXAJ-UHFFFAOYSA-N,
ANW-37354,
MFCD09972176,
ZINC38536983,
AKOS010793534,
AM87216,
AJ-95783,
TR-025407,
V7821,
B-5504,
I01-10863,
C9H11BrO,
1-BROMO-2- BENZENE,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number