| CAS Number | 95068-22-7 |
| Catalog Number | AG00IIPQ(AGN-PC-0JTJGQ) |
| Chemical Name | Benzene, 1-bromo-4-(ethoxymethyl)- |
| IUPAC Name | 1-bromo-4-(ethoxymethyl)benzene |
| InChI | InChI=1S/C9H11BrO/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3 |
| InChI Key | GHMBQMRBQQURAS-UHFFFAOYSA-N |
| MDL Number | MFCD14686973 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | CCOCC1=CC=C(Br)C=C1 |
| Synonyms | 1-Bromo-4-(ethoxymethyl)benzene,
95068-22-7,
1-bromo-4-ethoxymethylbenzene,
GHMBQMRBQQURAS-UHFFFAOYSA-N,
Benzene, 1-bromo-4-(ethoxymethyl)-,
4-Bromobenzylethyl ether,
AC1LCB62,
1-bromo-4-ethoxymethyl-benzene,
SCHEMBL5048050,
1-Bromo-4-(ethoxymethyl)benzene #,
MFCD14686973,
ZINC32208746,
AKOS005363243,
AM87489,
MCULE-3956564735,
NE23068,
SC-34265,
EN300-82508,
Z1250132775,
CID598187,
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| Complexity | 97.7 |
| 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 | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number