Methyl 4-amino-3-chloro-5-nitrobenzoate - CAS 863886-04-8
Catalog: |
BB059449 |
Product Name: |
Methyl 4-amino-3-chloro-5-nitrobenzoate |
CAS: |
863886-04-8 |
Synonyms: |
Methyl 4-Amino-3-chloro-5-nitrobenzoate; Benzoic acid, 4-amino-3-chloro-5-nitro-, methyl ester; methyl 4-amino-5-chloro-3-nitrobenzoate |
IUPAC Name: | methyl 4-amino-3-chloro-5-nitrobenzoate |
Description: | Methyl 4-amino-3-chloro-5-nitrobenzoate |
Molecular Weight: | 230.61 |
Molecular Formula: | C8H7ClN2O4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7ClN2O4/c1-15-8(12)4-2-5(9)7(10)6(3-4)11(13)14/h2-3H,10H2,1H3 |
InChI Key: | ZJFONSIKILEGMQ-UHFFFAOYSA-N |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0094344 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0094344 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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