Methyl 2-(4-amino-3-nitrophenyl)acetate - CAS 28694-94-2
Catalog: |
BB059431 |
Product Name: |
Methyl 2-(4-amino-3-nitrophenyl)acetate |
CAS: |
28694-94-2 |
Synonyms: |
Methyl 2-(4-amino-3-nitrophenyl)acetate; Methyl2-(4-amino-3-nitrophenyl)acetate; Benzeneacetic acid, 4-amino-3-nitro-, methyl ester; methyl (4-amino-3-nitrophenyl)acetate |
IUPAC Name: | methyl 2-(4-amino-3-nitrophenyl)acetate |
Description: | Methyl 2-(4-amino-3-nitrophenyl)acetate |
Molecular Weight: | 210.19 |
Molecular Formula: | C9H10N2O4 |
Canonical SMILES: | COC(=O)CC1=CC(=C(C=C1)N)[N+](=O)[O-] |
InChI: | InChI=1S/C9H10N2O4/c1-15-9(12)5-6-2-3-7(10)8(4-6)11(13)14/h2-4H,5,10H2,1H3 |
InChI Key: | KMSVFPDFFCHFRV-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0640568 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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