Ethyl 2-[(4-Bromo-2-nitrophenyl)amino]acetate - CAS 1179891-92-9
Catalog: |
BB065844 |
Product Name: |
Ethyl 2-[(4-Bromo-2-nitrophenyl)amino]acetate |
CAS: |
1179891-92-9 |
Synonyms: |
Ethyl 2-[(4-bromo-2-nitrophenyl)amino]acetate; ethyl 2-(4-bromo-2-nitroanilino)acetate; Ethyl2-[(4-bromo-2-nitrophenyl)amino]acetate |
IUPAC Name: | ethyl 2-(4-bromo-2-nitroanilino)acetate |
Molecular Weight: | 303.11 |
Molecular Formula: | C10H11BrN2O4 |
Canonical SMILES: | CCOC(=O)CNC1=C(C=C(C=C1)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C10H11BrN2O4/c1-2-17-10(14)6-12-8-4-3-7(11)5-9(8)13(15)16/h3-5,12H,2,6H2,1H3 |
InChI Key: | ACOOABNWNPCOAB-UHFFFAOYSA-N |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.99022 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.99022 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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