1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid - CAS 1314654-60-8
Catalog: |
BB071227 |
Product Name: |
1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid |
CAS: |
1314654-60-8 |
Synonyms: |
1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid; 1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylicacid |
IUPAC Name: | 1-(4-bromo-3-methylphenyl)cyclopropane-1-carboxylic acid |
Description: | 1-(4-Bromo-3-methylphenyl)cyclopropane-1-carboxylic acid |
Molecular Weight: | 255.11 |
Molecular Formula: | C11H11BrO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C2(CC2)C(=O)O)Br |
InChI: | InChI=1S/C11H11BrO2/c1-7-6-8(2-3-9(7)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14) |
InChI Key: | QOGZYPQBUSUONK-UHFFFAOYSA-N |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.99424 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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