| CAS Number | 22378-67-2 |
| Catalog Number | AG00I4F3 |
| Chemical Name | 2-bromo-3,4-dimethyl-6-nitroaniline |
| IUPAC Name | 2-bromo-3,4-dimethyl-6-nitroaniline |
| InChI | InChI=1S/C8H9BrN2O2/c1-4-3-6(11(12)13)8(10)7(9)5(4)2/h3H,10H2,1-2H3 |
| InChI Key | RQBXDAJHWRFLQL-UHFFFAOYSA-N |
| MDL Number | MFCD12547851 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | CC1=C(C)C(Br)=C(N)C([N+]([O-])=O)=C1 |
| Synonyms | 2-Bromo-3,4-dimethyl-6-nitroaniline,
22378-67-2,
2-BROMO-3,4-DIMETHYL-6-NITROBENZENAMINE,
SCHEMBL19776318,
4-Amino-3-bromo-5-nitro-o-xylene,
BBL035056,
MFCD12547851,
STL426420,
ZINC40571610,
AKOS025261035,
NE15522,
AS-30099,
(2-bromo-3,4-dimethyl-6-nitrophenyl)amine,
CS-0061222,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number