| CAS Number | 63105-54-4 |
| Catalog Number | AG00F5QK(AGN-PC-0JLIRS) |
| Chemical Name | Methyl 2,3-dichloro-5-nitrobenzoate |
| EC Number | 263-859-2 |
| IUPAC Name | methyl 2,3-dichloro-5-nitrobenzoate |
| InChI | InChI=1S/C8H5Cl2NO4/c1-15-8(12)5-2-4(11(13)14)3-6(9)7(5)10/h2-3H,1H3 |
| InChI Key | IIOLRSLJSWKIEX-UHFFFAOYSA-N |
| MDL Number | MFCD12172998 |
| Molecular Formula | C8H5Cl2NO4 |
| Molecular Weight | 250.0356 |
| SMILES | COC(C1=C(Cl)C(Cl)=CC([N+]([O-])=O)=C1)=O |
| Synonyms | Methyl 2,3-dichloro-5-nitrobenzoate,
63105-54-4,
Benzoic acid, 2,3-dichloro-5-nitro-, methyl ester,
EINECS 263-859-2,
AC1L3CG9,
AC1Q3L03,
DTXSID5069671,
ZINC5997498,
AKOS009486456,
2,3-Dichloro-5-nitrobenzoic acid methyl ester,
C8-H5-Cl2-N-O4,
methyl2,3-dichloro-5-nitrobenzoate,
AR-1J4511,
CID113010,
63978-75-6,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.031g/mol |
| Monoisotopic Mass | 248.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number