| CAS Number | 860751-71-9 |
| Catalog Number | AG008FJ6(AGN-PC-0WA864) |
| Chemical Name | 3-Bromo-2-methyl-6-nitroaniline |
| IUPAC Name | 3-bromo-2-methyl-6-nitroaniline |
| InChI | InChI=1S/C7H7BrN2O2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,9H2,1H3 |
| InChI Key | QZONGSDRDXYLDS-UHFFFAOYSA-N |
| MDL Number | MFCD20484899 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | NC1=C([N+]([O-])=O)C=CC(Br)=C1C |
| Synonyms | 3-Bromo-2-methyl-6-nitroaniline,
860751-71-9,
SCHEMBL241906,
CTK8C3512,
DTXSID30735474,
QZONGSDRDXYLDS-UHFFFAOYSA-N,
3441AC,
ANW-70191,
ZINC82046711,
FCH1605768,
Benzenamine, 3-bromo-2-methyl-6-nitro-,
AJ-124406,
AX8241437,
TC-158936,
ST24022719,
C7H7BrN2O2,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number