| CAS Number | 1187385-82-5 |
| Catalog Number | AG0080XP(AGN-PC-0WNMJ6) |
| Chemical Name | 1-Bromo-4-iodo-5-nitro-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-4-iodo-5-nitro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF3INO2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H |
| InChI Key | VKMQPFOZIBWBPJ-UHFFFAOYSA-N |
| MDL Number | MFCD12913962 |
| Molecular Formula | C7H2BrF3INO2 |
| Molecular Weight | 395.9000 |
| SMILES | BrC1=C(C=C(C(=C1)[N+](=O)[O-])I)C(F)(F)F |
| Synonyms | 1-Bromo-4-iodo-5-nitro-2-(trifluoromethyl)benzene,
1187385-82-5,
2-Bromo-5-iodo-4-nitrobenzotrifluoride,
C7H2BrF3INO2,
CTK8B6288,
DTXSID20675355,
ANW-53220,
MFCD12913962,
ZINC38537831,
AKOS015888956,
AJ-96244,
AX8231416,
TR-034249,
Z7962,
A-5270,
I01-16228,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.827g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.902g/mol |
| Monoisotopic Mass | 394.827g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number