1-(3-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid - CAS 1448684-52-3
Catalog: |
BB071293 |
Product Name: |
1-(3-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
1448684-52-3 |
Synonyms: |
1-(3-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid; 2-(3-BROMOPHENYL)-5-METHYLPYRAZOLE-3-CARBOXYLIC ACID; 1-(3-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylicacid |
IUPAC Name: | 2-(3-bromophenyl)-5-methylpyrazole-3-carboxylic acid |
Description: | 1-(3-Bromophenyl)-3-methyl-1H-pyrazole-5-carboxylic acid |
Molecular Weight: | 281.1 |
Molecular Formula: | C11H9BrN2O2 |
Canonical SMILES: | CC1=NN(C(=C1)C(=O)O)C2=CC(=CC=C2)Br |
InChI: | InChI=1S/C11H9BrN2O2/c1-7-5-10(11(15)16)14(13-7)9-4-2-3-8(12)6-9/h2-6H,1H3,(H,15,16) |
InChI Key: | VEQOPDHDCDATQX-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.98474 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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