(2E)-3-(2-Bromo-4-methylphenyl)acrylic acid - CAS 66192-29-8
Catalog: |
BB071352 |
Product Name: |
(2E)-3-(2-Bromo-4-methylphenyl)acrylic acid |
CAS: |
66192-29-8 |
Synonyms: |
(2E)-3-(2-bromo-4-methylphenyl)acrylic acid; (E)-3-(2-BROMO-4-METHYLPHENYL)ACRYLIC ACID; (E)-3-(2-bromo-4-methylphenyl)prop-2-enoic acid; (2E)-3-(2-bromo-4-methylphenyl)prop-2-enoic acid; 3-(2-bromo-4-methylphenyl)-2-propenoic acid; 2-Bromo-4-methylcinnamic acid |
IUPAC Name: | (E)-3-(2-bromo-4-methylphenyl)prop-2-enoic acid |
Description: | (2E)-3-(2-Bromo-4-methylphenyl)acrylic acid |
Molecular Weight: | 241.08 |
Molecular Formula: | C10H9BrO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)C=CC(=O)O)Br |
InChI: | InChI=1S/C10H9BrO2/c1-7-2-3-8(9(11)6-7)4-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-4+ |
InChI Key: | RAVBNEMTZQOKCD-SNAWJCMRSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 239.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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