Ethyl 3-bromo-4-(methylamino)-5-nitrobenzoate - CAS 1423037-47-1
Catalog: |
BB065846 |
Product Name: |
Ethyl 3-bromo-4-(methylamino)-5-nitrobenzoate |
CAS: |
1423037-47-1 |
Synonyms: |
ETHYL 3-BROMO-4-(METHYLAMINO)-5-NITROBENZOATE; ETHYL3-BROMO-4-(METHYLAMINO)-5-NITROBENZOATE; Benzoic acid, 3-bromo-4-(methylamino)-5-nitro-, ethyl ester |
IUPAC Name: | ethyl 3-bromo-4-(methylamino)-5-nitrobenzoate |
Description: | Ethyl 3-bromo-4-(methylamino)-5-nitrobenzoate is a useful research chemical. |
Molecular Weight: | 303.11 |
Molecular Formula: | C10H11BrN2O4 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C(=C1)Br)NC)[N+](=O)[O-] |
InChI: | InChI=1S/C10H11BrN2O4/c1-3-17-10(14)6-4-7(11)9(12-2)8(5-6)13(15)16/h4-5,12H,3H2,1-2H3 |
InChI Key: | HTPHPPQKSWJOOS-UHFFFAOYSA-N |
Complexity: | 295 |
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: | 4 |
Topological Polar Surface Area: | 84.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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