| CAS Number | 682803-05-0 |
| Catalog Number | AG005XF3(AGN-PC-0WB3DZ) |
| Chemical Name | 3-Amino-3-(5-bromofuran-2-yl)propanoic acid |
| IUPAC Name | 3-amino-3-(5-bromofuran-2-yl)propanoic acid |
| InChI | InChI=1S/C7H8BrNO3/c8-6-2-1-5(12-6)4(9)3-7(10)11/h1-2,4H,3,9H2,(H,10,11) |
| InChI Key | GHSGHNSPJVMADK-UHFFFAOYSA-N |
| MDL Number | MFCD02653298 |
| Molecular Formula | C7H8BrNO3 |
| Molecular Weight | 234.0473 |
| SMILES | C1(C(N)CC(O)=O)=CC=C(Br)O1 |
| Synonyms | 682803-05-0,
3-AMINO-3-(5-BROMO-2-FURYL)PROPANOIC ACID,
3-Amino-3-(5-bromofuran-2-yl)propanoic acid,
CTK5C7660,
DTXSID20640922,
MFCD02653298,
AKOS000190906,
AKOS022184997,
W-9592,
3-(5-Bromo-2-furyl)-beta-alanine, AldrichCPR,
(3R)-3-AMINO-3-(5-BROMOFURAN-2-YL)PROPANOIC ACID,
(3S)-3-AMINO-3-(5-BROMOFURAN-2-YL)PROPANOIC ACID,
1270267-08-7,
1270282-81-9,
3-AMINO-3- PROPANOICACID,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.049g/mol |
| Monoisotopic Mass | 232.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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