| CAS Number | 1049131-86-3 |
| Catalog Number | AG01C74L |
| Chemical Name | 3-(3-Bromophenyl)aniline |
| IUPAC Name | 3-(3-bromophenyl)aniline |
| InChI | InChI=1S/C12H10BrN/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H,14H2 |
| InChI Key | OSBMEJLVNAQEIN-UHFFFAOYSA-N |
| MDL Number | MFCD11574756 |
| Molecular Formula | C12H10BrN |
| Molecular Weight | 248.1185 |
| SMILES | NC1=CC(C2=CC(Br)=CC=C2)=CC=C1 |
| Synonyms | 3-(3-bromophenyl)aniline,
1049131-86-3,
SCHEMBL9292677,
ZINC20391248,
AKOS002678240,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.123g/mol |
| Monoisotopic Mass | 247g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number