3-(4-Bromopyrazol-1-yl)benzoic acid - CAS 926248-67-1
Catalog: |
BB062129 |
Product Name: |
3-(4-Bromopyrazol-1-yl)benzoic acid |
CAS: |
926248-67-1 |
Synonyms: |
3-(4-bromo-1H-pyrazol-1-yl)benzoic acid; 3-(4-bromopyrazol-1-yl)benzoic acid; 3-(4-bromo-1H-pyrazol-1-yl)benzoicacid |
IUPAC Name: | 3-(4-bromopyrazol-1-yl)benzoic acid |
Description: | 3-(4-Bromopyrazol-1-yl)benzoic acid |
Molecular Weight: | 267.07 |
Molecular Formula: | C10H7BrN2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)N2C=C(C=N2)Br)C(=O)O |
InChI: | InChI=1S/C10H7BrN2O2/c11-8-5-12-13(6-8)9-3-1-2-7(4-9)10(14)15/h1-6H,(H,14,15) |
InChI Key: | YTQYZCOYYUQUKG-UHFFFAOYSA-N |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.96909 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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