1-Chloro-2-[(4-ethoxyphenyl)methyl]benzene - CAS 1662702-90-0
Catalog: |
BB070378 |
Product Name: |
1-Chloro-2-[(4-ethoxyphenyl)methyl]benzene |
CAS: |
1662702-90-0 |
Synonyms: |
1-chloro-2-(4-ethoxybenzyl)benzene; 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene; o-Chloro[(p-ethoxyphenyl)methyl]benzene; 1-[(2-chlorophenyl)methyl]-4-ethoxybenzene |
IUPAC Name: | 1-chloro-2-[(4-ethoxyphenyl)methyl]benzene |
Description: | 1-Chloro-2-[(4-ethoxyphenyl)methyl]benzene is a useful chemical reagent. Impurity of Dapagliflozin (D185370). |
Molecular Weight: | 246.73 |
Molecular Formula: | C15H15ClO |
Canonical SMILES: | CCOC1=CC=C(C=C1)CC2=CC=CC=C2Cl |
InChI: | InChI=1S/C15H15ClO/c1-2-17-14-9-7-12(8-10-14)11-13-5-3-4-6-15(13)16/h3-10H,2,11H2,1H3 |
InChI Key: | KETHSKCEXFAVNR-UHFFFAOYSA-N |
Melting Point: | 72-74°C |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Inert atmosphere |
References: | Holladay, M., et al. J. Med. Chem., 41, 407 (1998); Lynch, J., et al. Tetrahedron Asymm., 9, 2791 (1998). |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0811428 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0811428 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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