| CAS Number | 1805421-04-8 |
| Catalog Number | AG00222V(AGN-PC-0WAMJR) |
| Chemical Name | 2-Bromo-3-fluoro-5-methylaniline |
| IUPAC Name | 2-bromo-3-fluoro-5-methylaniline |
| InChI | InChI=1S/C7H7BrFN/c1-4-2-5(9)7(8)6(10)3-4/h2-3H,10H2,1H3 |
| InChI Key | PNSMOWSOJAKJGX-UHFFFAOYSA-N |
| MDL Number | MFCD28739689 |
| Molecular Formula | C7H7BrFN |
| Molecular Weight | 204.0396 |
| SMILES | NC1=CC(C)=CC(F)=C1Br |
| Synonyms | 2-Bromo-3-fluoro-5-methylaniline,
1805421-04-8,
KS-00000LJS,
MFCD28739689,
AKOS027353838,
ZINC306823244,
AK358351,
DS-12525,
Benzenamine, 2-bromo-3-fluoro-5-methyl-,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.042g/mol |
| Monoisotopic Mass | 202.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number