(S)-1-(4-Iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol - CAS 1427311-76-9
Catalog: |
BB054538 |
Product Name: |
(S)-1-(4-Iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol |
CAS: |
1427311-76-9 |
Synonyms: |
(S)-1-(4-iodo-5-methoxy-2-nitrophenyl)-2,2-dimethyl-1-propanol |
IUPAC Name: | (1S)-1-(4-iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol |
Molecular Weight: | 365.16 |
Molecular Formula: | C12H16INO4 |
Canonical SMILES: | CC(C)(C)C(C1=CC(=C(C=C1[N+](=O)[O-])I)OC)O |
InChI: | InChI=1S/C12H16INO4/c1-12(2,3)11(15)7-5-10(18-4)8(13)6-9(7)14(16)17/h5-6,11,15H,1-4H3/t11-/m1/s1 |
InChI Key: | ZLADVZVZFILTLD-LLVKDONJSA-N |
Boiling Point: | 444.3±45.0 °C at 760 mmHg |
Purity: | 95% |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 365.01241 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 365.01241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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