| CAS Number | 243984-48-7 |
| Catalog Number | AG00BLTD(AGN-PC-0R06M9) |
| Chemical Name | Methyl 3-chloro-4-nitrobenzoate |
| IUPAC Name | methyl 3-chloro-4-nitrobenzoate |
| InChI | InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3 |
| InChI Key | UHPKNDYXGXJKMH-UHFFFAOYSA-N |
| MDL Number | MFCD11977375 |
| Molecular Formula | C8H6ClNO4 |
| Molecular Weight | 215.5905 |
| SMILES | COC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-] |
| Synonyms | METHYL 3-CHLORO-4-NITROBENZOATE,
243984-48-7,
Benzoic acid, 3-chloro-4-nitro-, methyl ester,
SCHEMBL11137980,
CTK4F3576,
DTXSID60608081,
methyl 3-chloranyl-4-nitro-benzoate,
ZINC57351640,
AKOS016042708,
CM-1640,
MCULE-4694161170,
3-chloro-4-nitrobenzoic acid methyl ester,
AJ-112884,
Benzoicacid, 3-chloro-4-nitro-, methyl ester,
A817277,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.589g/mol |
| Monoisotopic Mass | 214.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number