| CAS Number | 341008-33-1 |
| Catalog Number | AG019VSN |
| Chemical Name | 4-bromo-N-[(thiophen-3-yl)methyl]aniline |
| IUPAC Name | 4-bromo-N-(thiophen-3-ylmethyl)aniline |
| InChI | InChI=1S/C11H10BrNS/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-6,8,13H,7H2 |
| InChI Key | PZPUAUJYQPZISQ-UHFFFAOYSA-N |
| MDL Number | MFCD01426998 |
| Molecular Formula | C11H10BrNS |
| Molecular Weight | 268.1728 |
| SMILES | BrC1=CC=C(NCC2=CSC=C2)C=C1 |
| Synonyms | 4-bromo-N-(thiophen-3-ylmethyl)aniline,
341008-33-1,
AC1Q24YY,
SCHEMBL16586060,
CTK5I7580,
ZINC19923008,
AKOS000240746,
MCULE-6162328221,
NE11862,
4-bromo-N-[(thiophen-3-yl)methyl]aniline,
EN300-49076,
AB01002639-01,
Z600428398,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.172g/mol |
| Monoisotopic Mass | 266.972g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number