| CAS Number | 1251156-96-3 |
| Catalog Number | AG000N7R(AGN-PC-09PV7C) |
| Chemical Name | 1-Bromo-3-(2-methoxyethoxy)methylbenzene |
| IUPAC Name | 1-bromo-3-(2-methoxyethoxymethyl)benzene |
| InChI | InChI=1S/C10H13BrO2/c1-12-5-6-13-8-9-3-2-4-10(11)7-9/h2-4,7H,5-6,8H2,1H3 |
| InChI Key | QKVCPDALWVZRAH-UHFFFAOYSA-N |
| MDL Number | MFCD14687005 |
| Molecular Formula | C10H13BrO2 |
| Molecular Weight | 245.1130 |
| SMILES | COCCOCC1=CC(Br)=CC=C1 |
| Synonyms | 1251156-96-3,
1-Bromo-3-(2-methoxyethoxy)methylbenzene,
1-bromo-3-[(2-methoxyethoxy)methyl]benzene,
1-Bromo-3-((2-methoxyethoxy)methyl)benzene,
ACMC-209atn,
CTK4B4247,
DTXSID00681333,
ANW-18297,
MFCD14687005,
ZINC49600978,
AKOS010793573,
MCULE-4558328911,
AJ-111384,
TR-035077,
B-2386,
Benzene, 1-bromo-3-[(2-methoxyethoxy)methyl]-,
I01-11049,
Z1511532063,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.116g/mol |
| Monoisotopic Mass | 244.01g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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