3-Bromo-4-(5-tetrazolyl)benzoic Acid - CAS 1131615-11-6
Catalog: |
BB003127 |
Product Name: |
3-Bromo-4-(5-tetrazolyl)benzoic Acid |
CAS: |
1131615-11-6 |
Synonyms: |
3-bromo-4-(2H-tetrazol-5-yl)benzoic acid; 3-bromo-4-(2H-tetrazol-5-yl)benzoic acid |
IUPAC Name: | 3-bromo-4-(2H-tetrazol-5-yl)benzoic acid |
Description: | 3-Bromo-4-(5-tetrazolyl)benzoic Acid (CAS# 1131615-11-6 ) is a useful research chemical. |
Molecular Weight: | 269.05 |
Molecular Formula: | C8H5BrN4O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Br)C2=NNN=N2 |
InChI: | InChI=1S/C8H5BrN4O2/c9-6-3-4(8(14)15)1-2-5(6)7-10-12-13-11-7/h1-3H,(H,14,15)(H,10,11,12,13) |
InChI Key: | PPTCTJHIJVJYRQ-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.32740 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.95959 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.95959 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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