| CAS Number | 937795-88-5 |
| Catalog Number | AG00GVDD(AGN-PC-0WOWVH) |
| Chemical Name | 3-Bromo-4-isocyanatothiophene |
| IUPAC Name | 3-bromo-4-isocyanatothiophene |
| InChI | InChI=1S/C5H2BrNOS/c6-4-1-9-2-5(4)7-3-8/h1-2H |
| InChI Key | HVJDEHSHJHNENX-UHFFFAOYSA-N |
| MDL Number | MFCD09879904 |
| Molecular Formula | C5H2BrNOS |
| Molecular Weight | 204.0445 |
| SMILES | BrC1C(N=C=O)=CSC=1 |
| Synonyms | 3-Bromo-4-isocyanatothiophene,
937795-88-5,
4-bromothiophen-3-isocyanate,
CTK5H3098,
DTXSID10640254,
4-Bromothien-3-yl isocyanate 95%,
MFCD09879904,
SBB093222,
ZINC12370497,
AKOS025394932,
RT-008613,
I14-62451,
4-Bromothien-3-yl isocyanate,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.041g/mol |
| Monoisotopic Mass | 202.904g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number