| CAS Number | 89642-17-1 |
| Catalog Number | AG00H4F3(AGN-PC-0WOK0S) |
| Chemical Name | Benzene, 2-bromo-1-chloro-3-methyl-5-nitro- |
| IUPAC Name | 2-bromo-1-chloro-3-methyl-5-nitrobenzene |
| InChI | InChI=1S/C7H5BrClNO2/c1-4-2-5(10(11)12)3-6(9)7(4)8/h2-3H,1H3 |
| InChI Key | UETMZIKJERIBQM-UHFFFAOYSA-N |
| MDL Number | MFCD28130130 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | c1(c(c(cc(c1)[N+](=O)[O-])Cl)Br)C |
| Synonyms | 2-bromo-1-chloro-3-methyl-5-nitrobenzene,
89642-17-1,
SCHEMBL850072,
2-Bromo-3-chloro-5-nitrotoluene,
UETMZIKJERIBQM-UHFFFAOYSA-N,
AKOS025132066,
ZINC114705222,
DA-26916,
Benzene, 2-romo-1-hloro-3-ethyl-5-itro-,
2-bromo-1-chloro-3-methyl-5-nitro-benzene,
FT-0737014,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.91922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.48g/mol |
| Monoisotopic Mass | 248.91922g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number