| CAS Number | 1253907-90-2 |
| Catalog Number | AG000NLA(AGN-PC-0H3XC7) |
| Chemical Name | 4-Bromo-3-chloro-5-methylaniline |
| IUPAC Name | 4-bromo-3-chloro-5-methylaniline |
| InChI | InChI=1S/C7H7BrClN/c1-4-2-5(10)3-6(9)7(4)8/h2-3H,10H2,1H3 |
| InChI Key | RDCLNHDXIKGVHL-UHFFFAOYSA-N |
| MDL Number | MFCD28130124 |
| Molecular Formula | C7H7BrClN |
| Molecular Weight | 220.4942 |
| SMILES | BrC1=C(C=C(N)C=C1C)Cl |
| Synonyms | 4-bromo-3-chloro-5-methylaniline,
1253907-90-2,
4-bromo-3-chloro-5-methylBenzenamine,
Benzenamine, 4-bromo-3-chloro-5-methyl-,
SCHEMBL849292,
RDCLNHDXIKGVHL-UHFFFAOYSA-N,
MFCD28130124,
AKOS025132067,
ZINC114704006,
4-bromo-3-chloro-5-methyl-phenylamine,
(4-bromo-3-chloro-5-methylphenyl)amine,
FT-0710199,
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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 | 218.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.494g/mol |
| Monoisotopic Mass | 218.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number