| CAS Number | 773130-29-3 |
| Catalog Number | AG00ICTI(AGN-PC-0WR0T3) |
| Chemical Name | (E)-3-(6-Bromopyridin-2-YL)acrylic acid |
| IUPAC Name | (E)-3-(6-bromopyridin-2-yl)prop-2-enoic acid |
| InChI | InChI=1S/C8H6BrNO2/c9-7-3-1-2-6(10-7)4-5-8(11)12/h1-5H,(H,11,12)/b5-4+ |
| InChI Key | OWKKFIFFUTURMU-SNAWJCMRSA-N |
| MDL Number | MFCD06205475 |
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 228.0427 |
| SMILES | OC(=O)/C=C/c1cccc(n1)Br |
| Synonyms | (E)-3-(6-BROMOPYRIDIN-2-YL)ACRYLIC ACID,
773130-29-3,
3-(6-Bromopyridin-2-yl)acrylic acid,
SCHEMBL3614973,
2-Propenoic acid, 3-(6-bromo-2-pyridinyl)-, (2E)-,
ZINC44201262,
1454890-97-1,
SC-39560,
(E)-3-(6-Bromo-2-pyridinyl)acrylic acid,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 226.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.045g/mol |
| Monoisotopic Mass | 226.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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