| CAS Number | 35985-70-7 |
| Catalog Number | AG00IWUB(AGN-PC-0WB0DJ) |
| Chemical Name | 2-[(4-Fluorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde |
| IUPAC Name | 2-(4-fluorophenyl)sulfanyl-5-nitrobenzaldehyde |
| InChI | InChI=1S/C13H8FNO3S/c14-10-1-4-12(5-2-10)19-13-6-3-11(15(17)18)7-9(13)8-16/h1-8H |
| InChI Key | HZYUWCHYUSOBOT-UHFFFAOYSA-N |
| MDL Number | MFCD07021301 |
| Molecular Formula | C13H8FNO3S |
| Molecular Weight | 277.2709 |
| SMILES | [O-][N+](C1=CC(C=O)=C(SC2=CC=C(F)C=C2)C=C1)=O |
| Synonyms | 2-[(4-Fluorophenyl)sulfanyl]-5-nitrobenzenecarbaldehyde,
35985-70-7,
2-(4-Fluorophenylthio)-5-nitrobenzaldehyde,
2-((4-Fluorophenyl)thio)-5-nitrobenzaldehyde,
2-[(4-fluorophenyl)sulfanyl]-5-nitrobenzaldehyde,
AC1MD47N,
CTK7H8781,
JS-167C,
KS-000026YJ,
ZINC6845359,
ZX-AP011408,
MFCD07021301,
AKOS001145366,
MCULE-4016884184,
PC10577,
RP15350,
SEL10900171,
TR-065046,
2-(4-fluorophenyl)sulfanyl-5-nitrobenzaldehyde,
ZINC06845359,
CID2783297,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.269g/mol |
| Monoisotopic Mass | 277.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number