| CAS Number | 68314-54-5 |
| Catalog Number | AG00IBTI(AGN-PC-006ITJ) |
| Chemical Name | Benzene, 1-bromo-2-(methoxymethoxy)- |
| IUPAC Name | 1-bromo-2-(methoxymethoxy)benzene |
| InChI | InChI=1S/C8H9BrO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2-5H,6H2,1H3 |
| InChI Key | ODYFUQZVGLEJJC-UHFFFAOYSA-N |
| MDL Number | MFCD21101767 |
| Molecular Formula | C8H9BrO2 |
| Molecular Weight | 217.0599 |
| SMILES | BrC1=C(C=CC=C1)OCOC |
| Synonyms | 1-bromo-2-(methoxymethoxy)benzene,
68314-54-5,
Benzene, 1-bromo-2-(methoxymethoxy)-,
2-methoxymethoxybromobenzene,
o-bromo(methoxymethoxy)benzene,
SCHEMBL755670,
1-bromo-2-methoxymethoxybenzene,
2-(Methoxymethoxy)-bromobenzene,
ODYFUQZVGLEJJC-UHFFFAOYSA-N,
1-(Methoxymethoxy)-2-bromobenzene,
MFCD21101767,
ZINC81945715,
AKOS009076550,
DA-04334,
FT-0767209,
1-Bromo-2-(methoxymethoxy)benzene, AldrichCPR,
Y-8431,
CID11310479,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.062g/mol |
| Monoisotopic Mass | 215.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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