| CAS Number | 90350-25-7 |
| Catalog Number | AG019FYS(AGN-PC-0WALE4) |
| Chemical Name | 2-Bromo-1-chloro-4-isopropylbenzene |
| IUPAC Name | 2-bromo-1-chloro-4-propan-2-ylbenzene |
| InChI | InChI=1S/C9H10BrCl/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,1-2H3 |
| InChI Key | NSVFYXVTWMTRCY-UHFFFAOYSA-N |
| MDL Number | MFCD11845950 |
| Molecular Formula | C9H10BrCl |
| Molecular Weight | 233.5327 |
| SMILES | BrC1=C(C=CC(=C1)C(C)C)Cl |
| Synonyms | 2-Bromo-1-chloro-4-isopropylbenzene,
90350-25-7,
3-Bromo-4-chloroisopropylbenzene,
SCHEMBL1506620,
NSVFYXVTWMTRCY-UHFFFAOYSA-N,
3-Bromo-4-chloro isopropyl benzene,
MFCD11845950,
ZINC65356374,
2-bromo-1-chloro-4-isopropyl-benzene,
AKOS022181339,
FS-5643,
DA-01528,
2-Bromo-1-chloro-4-(propan-2-yl)benzene,
AJ-115548,
FT-0706170,
ST24040053,
Z1055,
Q-7158,
Benzene, 2-bromo-1-chloro-4-(1-methylethyl)-,
C9H10BrCl,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.533g/mol |
| Monoisotopic Mass | 231.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number