| CAS Number | 380426-69-7 |
| Catalog Number | AG019GTJ |
| Chemical Name | 4-Chloro-3-nitro-benzenesulfonic acid 4-formyl-2-methoxy-phenyl ester |
| IUPAC Name | (4-formyl-2-methoxyphenyl) 4-chloro-3-nitrobenzenesulfonate |
| InChI | InChI=1S/C14H10ClNO7S/c1-22-14-6-9(8-17)2-5-13(14)23-24(20,21)10-3-4-11(15)12(7-10)16(18)19/h2-8H,1H3 |
| InChI Key | IOQRQPPHPBAQKJ-UHFFFAOYSA-N |
| MDL Number | MFCD03150431 |
| Molecular Formula | C14H10ClNO7S |
| Molecular Weight | 371.7497 |
| SMILES | COC1=C(OS(C2=CC([N+]([O-])=O)=C(Cl)C=C2)(=O)=O)C=CC(C=O)=C1 |
| Synonyms | 4-formyl-2-methoxyphenyl 4-chloro-3-nitrobenzene-1-sulfonate,
380426-69-7,
4-Chloro-3-nitro-benzenesulfonic acid 4-formyl-2-methoxy-phenyl ester,
AC1M5YD6,
AC1Q47A7,
CTK7H9307,
ZINC3219635,
STL443400,
AKOS000115381,
MCULE-9895296614,
NE12370,
EN300-01114,
SR-01000032010,
SR-01000032010-1,
(4-formyl-2-methoxyphenyl) 4-chloro-3-nitrobenzenesulfonate,
4-FORMYL-2-METHOXYPHENYL 4-CHLORO-3-NITROBENZENESULFONATE,
ZINC03219635,
CID2338316,
|
| Complexity | 559 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.744g/mol |
| Monoisotopic Mass | 370.987g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number