| CAS Number | 34881-44-2 |
| Catalog Number | AG00CJ9R(AGN-PC-0NIUUL) |
| Chemical Name | 1-BROMO-2-ETHYL-4-METHOXY-BENZENE |
| IUPAC Name | 1-bromo-2-ethyl-4-methoxybenzene |
| InChI | InChI=1S/C9H11BrO/c1-3-7-6-8(11-2)4-5-9(7)10/h4-6H,3H2,1-2H3 |
| InChI Key | OJGXNQVFIXZTSA-UHFFFAOYSA-N |
| MDL Number | MFCD11043764 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | COC1=CC=C(Br)C(CC)=C1 |
| Synonyms | 1-Bromo-2-ethyl-4-methoxybenzene,
34881-44-2,
1-Bromo-2-ethyl-4-methoxy-benzene,
Benzene, 1-bromo-2-ethyl-4-methoxy-,
4-bromo-3-ethyl anisole,
SCHEMBL2001551,
OJGXNQVFIXZTSA-UHFFFAOYSA-N,
KS-000019QE,
MFCD11043764,
ZINC39218667,
AKOS024085634,
AJ-99171,
AK152699,
CS-0038172,
FT-0758005,
ST24037850,
Z1983132736,
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| Complexity | 116 |
| 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 | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number