E-Ospemifene - ≥95% , CAS No.238089-02-6

CAS: 238089-02-6 Cat. No.: E985232 分子式: C₂₄H₂₃ClO₂ 分子量: 378.89 PubChem CID: 9842777

グレード＆純度 ≥95%

Storage

Room temperature

仕様

仕様と純度

≥95%

保管条件

Room temperature

純度

≥95%

名前と識別子

カノニカル・スマイル

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl

IUPAC Name

2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol

InChIKey

LUMKNAVTFCDUIE-WCWDXBQESA-N

INCHI

1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23+

異性体SMILES

C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C3=CC=C(C=C3)OCCO)/CCCl

PubChem CID

9842777

分子量

378.89

化学的性質と物理的性質

• 分子量: 378.900 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 378.139 Da
• Monoisotopic Mass: 378.139 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 441.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1