| CAS Number | 98446-57-2 |
| Catalog Number | AG00IK3B(AGN-PC-002IOG) |
| Chemical Name | Benzenamine, 2-bromo-4-chloro-5-methoxy- |
| IUPAC Name | 2-bromo-4-chloro-5-methoxyaniline |
| InChI | InChI=1S/C7H7BrClNO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3 |
| InChI Key | DAFZNHUYTYCENX-UHFFFAOYSA-N |
| MDL Number | MFCD22199647 |
| Molecular Formula | C7H7BrClNO |
| Molecular Weight | 236.4936 |
| SMILES | NC1=CC(OC)=C(Cl)C=C1Br |
| Synonyms | 2-BROMO-4-CHLORO-5-METHOXYANILINE,
98446-57-2,
Benzenamine, 2-bromo-4-chloro-5-methoxy-,
SCHEMBL3344863,
DTXSID70563899,
DAFZNHUYTYCENX-UHFFFAOYSA-N,
MFCD22199647,
ZINC34363586,
AKOS024232819,
2-Bromo-4-chloro-5-methoxy-phenylamine,
AS-38872,
Z-9196,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.493g/mol |
| Monoisotopic Mass | 234.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number