| CAS Number | 61024-95-1 |
| Catalog Number | AG00IASG(AGN-PC-0NIHI8) |
| Chemical Name | Benzene, 2-bromo-1-chloro-4-(1,1-dimethylethyl)- |
| IUPAC Name | 2-bromo-4-tert-butyl-1-chlorobenzene |
| InChI | InChI=1S/C10H12BrCl/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,1-3H3 |
| InChI Key | ZMPAAERDSQBWMM-UHFFFAOYSA-N |
| MDL Number | MFCD09878145 |
| Molecular Formula | C10H12BrCl |
| Molecular Weight | 247.5593 |
| SMILES | BrC1=C(C=CC(=C1)C(C)(C)C)Cl |
| Synonyms | 61024-95-1,
2-Bromo-4-tert-butyl-1-chlorobenzene,
3-Bromo-4-chloro-tert-butylbenzene,
2-Bromo-4-(tert-butyl)-1-chlorobenzene,
SCHEMBL9911491,
3-bromo-4-chlorotertbutylbenzene,
CTK2E8157,
DTXSID80486989,
MFCD09878145,
ZINC63339624,
AKOS026670759,
AS-45895,
Benzene, 2-bromo-1-chloro-4-(1,1-dimethylethyl)-,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.56g/mol |
| Monoisotopic Mass | 245.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
Lot Number