| CAS Number | 3756-32-9 |
| Catalog Number | AG01BA4A(AGN-PC-0NGIHP) |
| Chemical Name | (1-Bromo-2-methylpropan-2-yl)benzene |
| IUPAC Name | (1-bromo-2-methylpropan-2-yl)benzene |
| InChI | InChI=1S/C10H13Br/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
| InChI Key | VFTCRBRKJMKHGD-UHFFFAOYSA-N |
| MDL Number | MFCD11936754 |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.1142 |
| SMILES | CC(C1=CC=CC=C1)(CBr)C |
| Synonyms | (1-bromo-2-methylpropan-2-yl)benzene,
3756-32-9,
Benzene, (2-bromo-1,1-dimethylethyl)-,
(2-bromo-1,1-dimethylethyl)benzene,
neophyl bromide,
SCHEMBL1336696,
CTK1B5570,
DTXSID30456612,
ZINC49707251,
AKOS012019749,
(1-bromo-2-methyl-propan-2-yl)benzene,
CID11138432,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.118g/mol |
| Monoisotopic Mass | 212.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^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