4-Bromo-α,5-dimethyl-2-thiophenemethanol - CAS 1600622-74-9
Catalog: |
BB074006 |
Product Name: |
4-Bromo-α,5-dimethyl-2-thiophenemethanol |
CAS: |
1600622-74-9 |
Synonyms: |
1-(4-Bromo-5-methylthiophen-2-yl)ethanol |
IUPAC Name: | 1-(4-bromo-5-methylthiophen-2-yl)ethanol |
Molecular Weight: | 221.11 |
Molecular Formula: | C7H9BrOS |
Canonical SMILES: | CC1=C(C=C(S1)C(C)O)Br |
InChI: | InChI=1S/C7H9BrOS/c1-4(9)7-3-6(8)5(2)10-7/h3-4,9H,1-2H3 |
InChI Key: | HZYFQRGGKNCAIW-UHFFFAOYSA-N |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.95575 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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