| CAS Number | 872820-00-3 |
| Catalog Number | AG004PEJ(AGN-PC-0WD0MQ) |
| Chemical Name | 4-Bromo-2-chloro-5-nitroaniline |
| IUPAC Name | 4-bromo-2-chloro-5-nitroaniline |
| InChI | InChI=1S/C6H4BrClN2O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,9H2 |
| InChI Key | OZMQSRBHILCYPE-UHFFFAOYSA-N |
| MDL Number | MFCD18783113 |
| Molecular Formula | C6H4BrClN2O2 |
| Molecular Weight | 251.4652 |
| SMILES | NC1=CC([N+]([O-])=O)=C(Br)C=C1Cl |
| Synonyms | 4-BROMO-2-CHLORO-5-NITROANILINE,
872820-00-3,
4-bromo-2-chloro-5-nitroBenzenamine,
ACMC-209qjf,
CTK8B2528,
DTXSID20681512,
ANW-38665,
MFCD18783113,
ZINC65336905,
AKOS015908299,
FCH1342906,
CJ-21012,
AJ-114931,
AX8229088,
TC-127410,
FT-0704221,
ST24023342,
V8418,
A-3288,
I14-24772,
C6H4BrClN2O2,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.464g/mol |
| Monoisotopic Mass | 249.914g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number