4-Bromo-2-piperazinobenzoic Acid - CAS 1197193-25-1
Catalog: |
BB004600 |
Product Name: |
4-Bromo-2-piperazinobenzoic Acid |
CAS: |
1197193-25-1 |
Synonyms: |
4-bromo-2-(1-piperazinyl)benzoic acid; 4-bromo-2-piperazin-1-ylbenzoic acid |
IUPAC Name: | 4-bromo-2-piperazin-1-ylbenzoic acid |
Description: | 4-Bromo-2-piperazinobenzoic Acid (CAS# 1197193-25-1 ) is a useful research chemical. |
Molecular Weight: | 285.14 |
Molecular Formula: | C11H13BrN2O2 |
Canonical SMILES: | C1CN(CCN1)C2=C(C=CC(=C2)Br)C(=O)O |
InChI: | InChI=1S/C11H13BrN2O2/c12-8-1-2-9(11(15)16)10(7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16) |
InChI Key: | YJEHRRNLZOGASO-UHFFFAOYSA-N |
LogP: | 1.95070 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.01604 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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