| CAS Number | 80563-87-7 |
| Catalog Number | AG00GAJG(AGN-PC-0JTMWC) |
| Chemical Name | 2-Chloro-6-Nitro-Benzoic Acid, Methyl Ester |
| IUPAC Name | methyl 2-chloro-6-nitrobenzoate |
| InChI | InChI=1S/C8H6ClNO4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3 |
| InChI Key | USGSGFWEGZVPNF-UHFFFAOYSA-N |
| MDL Number | MFCD06203843 |
| Molecular Formula | C8H6ClNO4 |
| Molecular Weight | 215.5905 |
| SMILES | COC(=O)c1c(Cl)cccc1[N+](=O)[O-] |
| Synonyms | Methyl 2-chloro-6-nitrobenzoate,
80563-87-7,
2-Chloro-6-Nitro-Benzoic Acid, Methyl Ester,
2-Chloro-6-nitrobenzoic acid methyl ester,
Benzoic acid, 2-chloro-6-nitro-, methyl ester,
USGSGFWEGZVPNF-UHFFFAOYSA-N,
AC1LCNZI,
SCHEMBL1612194,
methyl 6-chloro-2-nitro-benzoate,
Methyl-2-chloro-6-nitro-benzoate,
Methyl 2-chloro-6-nitrobenzoate #,
ZINC32222582,
AKOS012970253,
DA-41320,
FT-0727627,
CID603613,
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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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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