3-Bromo-4-chloro-2-nitro-Benzoic Acid - CAS 2090130-05-3
Catalog: |
BB055068 |
Product Name: |
3-Bromo-4-chloro-2-nitro-Benzoic Acid |
CAS: |
2090130-05-3 |
Synonyms: |
3-Bromo-4-chloro-2-nitrobenzoic acid; 3-Bromo-4-chloro-2-nitrobenzoicacid |
IUPAC Name: | 3-bromo-4-chloro-2-nitrobenzoic acid |
Molecular Weight: | 280.46 |
Molecular Formula: | C7H3BrClNO4 |
Canonical SMILES: | C1=CC(=C(C(=C1C(=O)O)[N+](=O)[O-])Br)Cl |
InChI: | InChI=1S/C7H3BrClNO4/c8-5-4(9)2-1-3(7(11)12)6(5)10(13)14/h1-2H,(H,11,12) |
InChI Key: | DBGNZNXTJOMOEU-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.8934 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.8934 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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