| CAS Number | 33839-11-1 |
| Catalog Number | AG00CK57(AGN-PC-00LY7F) |
| Chemical Name | 4-Bromo-2-ethyl-1-methoxybenzene |
| IUPAC Name | 4-bromo-2-ethyl-1-methoxybenzene |
| InChI | InChI=1S/C9H11BrO/c1-3-7-6-8(10)4-5-9(7)11-2/h4-6H,3H2,1-2H3 |
| InChI Key | IRITUNGQFQNGKP-UHFFFAOYSA-N |
| MDL Number | MFCD13659399 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | CCC1=CC(Br)=CC=C1OC |
| Synonyms | 4-bromo-2-ethyl-1-methoxybenzene,
33839-11-1,
AK152700,
SCHEMBL3991296,
KS-00000SBZ,
IRITUNGQFQNGKP-UHFFFAOYSA-N,
4-Bromo-2-ethyl-1-methoxy-benzene,
MFCD13659399,
ZINC39477871,
AKOS022797301,
Benzene, 4-bromo-2-ethyl-1-methoxy-,
DS-7332,
FCH1383660,
AJ-100356,
AX8289067,
FT-0756203,
W-4544,
|
| 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 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number