| CAS Number | 528528-63-4 |
| Catalog Number | AG00DAD7(AGN-PC-09MPBX) |
| Chemical Name | 1-Bromo-3-(neopentyloxy)benzene |
| IUPAC Name | 1-bromo-3-(2,2-dimethylpropoxy)benzene |
| InChI | InChI=1S/C11H15BrO/c1-11(2,3)8-13-10-6-4-5-9(12)7-10/h4-7H,8H2,1-3H3 |
| InChI Key | DLBVPHSNXXQEOE-UHFFFAOYSA-N |
| MDL Number | MFCD16322300 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | Brc1cccc(c1)OCC(C)(C)C |
| Synonyms | 1-Bromo-3-(neopentyloxy)benzene,
528528-63-4,
ACMC-209l2d,
SCHEMBL3636719,
CTK4J6623,
DTXSID60680766,
ANW-31571,
MFCD16322300,
ZINC41288102,
AKOS015835425,
AM90107,
1-Bromo-3-(2,2-dimethylpropoxy)benzene,
AJ-104117,
TR-036988,
V6413,
K-9625,
I01-11050,
C11H15BrO,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.144g/mol |
| Monoisotopic Mass | 242.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number