| CAS Number | 1080-07-5 |
| Catalog Number | AG007DON(AGN-PC-0WA885) |
| Chemical Name | 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid |
| IUPAC Name | 3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C10H9BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6H,1H3,(H,12,13) |
| InChI Key | VTHCKJFXUYPZAO-UHFFFAOYSA-N |
| MDL Number | MFCD01848832 |
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 257.0807 |
| SMILES | COc1ccc(cc1Br)C=CC(=O)O |
| Synonyms | 1080-07-5,
3-(3-bromo-4-methoxyphenyl)acrylic acid,
AC1LEXTT,
ACMC-1C3SX,
3-bromo-4methoxycinnamic acid,
CTK4C7103,
CTK8A9178,
VTHCKJFXUYPZAO-UHFFFAOYSA-N,
ANW-15882,
AKOS030246231,
MCULE-5799365931,
3-(3-Bromo-4-methoxyphenyl) acrylic acid,
3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid,
3-BROMO-4-METHOXYCINNAMIC ACID,
CID719754,
(E)-3-(3-bromo-4-methoxyphenyl)acrylic acid,
(2E)-3-(3-BROMO-4-METHOXYPHENYL)ACRYLIC ACID,
AA-516/12432194,
(E)-3-(3-Bromo-4-methoxy-phenyl)prop-2-enoic acid,
151539-49-0,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.083g/mol |
| Monoisotopic Mass | 255.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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