| CAS Number | 84972-58-7 |
| Catalog Number | AG004UI0(AGN-PC-0WCCQE) |
| Chemical Name | 3-Bromo-5-chloro-4-methoxyaniline |
| IUPAC Name | 3-bromo-5-chloro-4-methoxyaniline |
| InChI | InChI=1S/C7H7BrClNO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3 |
| InChI Key | RGXWSRHXXCULNQ-UHFFFAOYSA-N |
| MDL Number | MFCD15143449 |
| Molecular Formula | C7H7BrClNO |
| Molecular Weight | 236.4936 |
| SMILES | BrC1=CC(=CC(=C1OC)Cl)N |
| Synonyms | 3-BROMO-5-CHLORO-4-METHOXYANILINE,
84972-58-7,
ACMC-209pz5,
SCHEMBL10755122,
CTK5F3620,
DTXSID70603305,
RGXWSRHXXCULNQ-UHFFFAOYSA-N,
ANW-37935,
MFCD15143449,
ZINC59300065,
AKOS015834602,
FCH1388359,
CJ-20865,
AJ-113437,
AX8229085,
ST2404957,
TR-037976,
V7995,
B-4718,
I14-24597,
C7H7BrClNO,
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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 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number