| CAS Number | 13195-49-8 |
| Catalog Number | AG000ZYB(AGN-PC-00NVNB) |
| Chemical Name | 2-chloro-5-nitrothiophene |
| IUPAC Name | 2-chloro-5-nitrothiophene |
| InChI | InChI=1S/C4H2ClNO2S/c5-3-1-2-4(9-3)6(7)8/h1-2H |
| InChI Key | ICZXWJPHHWNISM-UHFFFAOYSA-N |
| MDL Number | MFCD01625926 |
| Molecular Formula | C4H2ClNO2S |
| Molecular Weight | 163.5822 |
| SMILES | O=[N+](C1=CC=C(Cl)S1)[O-] |
| Synonyms | 2-chloro-5-nitrothiophene,
13195-49-8,
Thiophene, 2-chloro-5-nitro-,
5-chloro-2-nitrothiophene,
AC1Q1XO2,
SCHEMBL9144199,
CTK0F5236,
DTXSID90548724,
MFCD01625926,
ZINC34144090,
AKOS026729484,
NE61093,
FT-0718200,
EN300-52743,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.575g/mol |
| Monoisotopic Mass | 162.949g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number