Methyl 2-chloro-6-nitrobenzoate - CAS 80563-87-7
Catalog: |
BB059857 |
Product Name: |
Methyl 2-chloro-6-nitrobenzoate |
CAS: |
80563-87-7 |
Synonyms: |
Methyl 2-chloro-6-nitrobenzoate; 2-Chloro-6-Nitro-Benzoic Acid, Methyl Ester; Benzoic acid, 2-chloro-6-nitro-, methyl ester; 2-Chloro-6-nitrobenzoic acid methyl ester; Methyl2-chloro-6-nitrobenzoate; methyl 6-chloro-2-nitro-benzoate |
IUPAC Name: | methyl 2-chloro-6-nitrobenzoate |
Description: | Methyl 2-chloro-6-nitrobenzoate |
Molecular Weight: | 215.59 |
Molecular Formula: | C8H6ClNO4 |
Canonical SMILES: | COC(=O)C1=C(C=CC=C1Cl)[N+](=O)[O-] |
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 |
Melting Point: | 90-92°C |
Solubility: | Chloroform, Ethyl Acetate (Slightly) |
Appearance: | Pale Beige Solid |
Storage: | Refrigerator |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.9985354 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.9985354 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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