Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate - CAS 34674-75-4
Catalog: |
BB059429 |
Product Name: |
Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate |
CAS: |
34674-75-4 |
Synonyms: |
methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate; Methyl 3-amino-5-nitrobenzo[b]thiophene-2-carboxylate; 3-AMino-5-nitro-benzo[b]thiophene-2-carboxylic acid Methyl ester |
IUPAC Name: | methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate |
Description: | Methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate |
Molecular Weight: | 252.25 |
Molecular Formula: | C10H8N2O4S |
Canonical SMILES: | COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])N |
InChI: | InChI=1S/C10H8N2O4S/c1-16-10(13)9-8(11)6-4-5(12(14)15)2-3-7(6)17-9/h2-4H,11H2,1H3 |
InChI Key: | WMZGLTDTPSMOMC-UHFFFAOYSA-N |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.02047791 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.02047791 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 126Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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