| CAS Number | 528528-58-7 |
| Catalog Number | AG00DAD9(AGN-PC-09MPBY) |
| Chemical Name | 1-Bromo-4-(neopentyloxy)benzene |
| IUPAC Name | 1-bromo-4-(2,2-dimethylpropoxy)benzene |
| InChI | InChI=1S/C11H15BrO/c1-11(2,3)8-13-10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3 |
| InChI Key | AWFIDQHILKXJOV-UHFFFAOYSA-N |
| MDL Number | MFCD16322301 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | CC(COc1ccc(cc1)Br)(C)C |
| Synonyms | 1-Bromo-4-(neopentyloxy)benzene,
528528-58-7,
1-Bromo-4-(2,2-dimethylpropoxy)benzene,
ACMC-209l2c,
SCHEMBL1542949,
CTK4J6622,
DTXSID20680767,
ANW-31570,
MFCD16322301,
ZINC41288105,
AKOS015835586,
AM90106,
AJ-104118,
TR-036987,
V6412,
K-9624,
I01-11113,
C11H15BrO,
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| Complexity | 143 |
| 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