| CAS Number | 223564-75-8 |
| Catalog Number | AG00I4EN(AGN-PC-01MJRF) |
| Chemical Name | 1-Bromo-3-(2-methylpropoxy)benzene |
| IUPAC Name | 1-bromo-3-(2-methylpropoxy)benzene |
| InChI | InChI=1S/C10H13BrO/c1-8(2)7-12-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3 |
| InChI Key | QTAHPJXZROQDCU-UHFFFAOYSA-N |
| MDL Number | MFCD11127630 |
| Molecular Formula | C10H13BrO |
| Molecular Weight | 229.1136 |
| SMILES | CC(C)COC1=CC(Br)=CC=C1 |
| Synonyms | 1-bromo-3-(2-methylpropoxy)benzene,
223564-75-8,
1-Bromo-3-isobutoxybenzene,
3-Isobutoxyphenyl bromide,
1-Bromo-3-iso-butyloxybenzene,
SCHEMBL4349792,
ZINC19806506,
AKOS000202049,
Benzene, 1-bromo-3-(2-methylpropoxy)-,
FT-0753582,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.117g/mol |
| Monoisotopic Mass | 228.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number