| CAS Number | 1344958-87-7 |
| Catalog Number | AG00HTC1(AGN-PC-0WCXDU) |
| Chemical Name | (1s)-1-(4-bromothiophen-2-yl)ethan-1-ol |
| IUPAC Name | (1S)-1-(4-bromothiophen-2-yl)ethanol |
| InChI | InChI=1S/C6H7BrOS/c1-4(8)6-2-5(7)3-9-6/h2-4,8H,1H3/t4-/m0/s1 |
| InChI Key | DPTFBIIZOCHASS-BYPYZUCNSA-N |
| MDL Number | MFCD20400843 |
| Molecular Formula | C6H7BrOS |
| Molecular Weight | 207.0882 |
| SMILES | C[C@@H](C1SC=C(Br)C=1)O |
| Synonyms | 1344958-87-7,
(S)-1-(4-Bromothiophen-2-yl)ethanol,
(1s)-1-(4-bromothiophen-2-yl)ethan-1-ol,
MFCD20400843,
ZINC39291212,
AKOS014040275,
SB21848,
AS-34871,
CS-0053590,
KS-00000835,
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| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.085g/mol |
| Monoisotopic Mass | 205.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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