3-Bromo-4-hydroxy-5-nitrobenzoic acid - CAS 67175-27-3
Catalog: |
BB071437 |
Product Name: |
3-Bromo-4-hydroxy-5-nitrobenzoic acid |
CAS: |
67175-27-3 |
Synonyms: |
3-Bromo-4-hydroxy-5-nitrobenzoic acid; 3-Bromo-4-hydroxy-5-nitrobenzoicacid; 5-bromo-4-hydroxy-3-nitrobenzoic acid |
IUPAC Name: | 3-bromo-4-hydroxy-5-nitrobenzoic acid |
Description: | 3-Bromo-4-hydroxy-5-nitrobenzoic acid |
Molecular Weight: | 262.01 |
Molecular Formula: | C7H4BrNO5 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)C(=O)O |
InChI: | InChI=1S/C7H4BrNO5/c8-4-1-3(7(11)12)2-5(6(4)10)9(13)14/h1-2,10H,(H,11,12) |
InChI Key: | MSUNRULZELFVQE-UHFFFAOYSA-N |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.92728 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.92728 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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