3-Bromo-4-butoxyphenylacetic Acid - CAS 23914-82-1
Catalog: |
BB018244 |
Product Name: |
3-Bromo-4-butoxyphenylacetic Acid |
CAS: |
23914-82-1 |
Synonyms: |
2-(3-bromo-4-butoxyphenyl)acetic acid; 2-(3-bromo-4-butoxyphenyl)acetic acid |
IUPAC Name: | 2-(3-bromo-4-butoxyphenyl)acetic acid |
Description: | 3-Bromo-4-butoxyphenylacetic Acid (CAS# 23914-82-1 ) is a useful research chemical. |
Molecular Weight: | 287.15 |
Molecular Formula: | C12H15BrO3 |
Canonical SMILES: | CCCCOC1=C(C=C(C=C1)CC(=O)O)Br |
InChI: | InChI=1S/C12H15BrO3/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,15) |
InChI Key: | OTPJLWRFALCRKE-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
OA-4038-A | Process for the preparation of substituted phenylacetic acids and their salts | 19670927 |
US-3824277-A | 4-allyloxy-3-chloro-phenyl-acetic acid | 19670927 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.02046 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.02046 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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