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Clomifene Citrate EP Impurity Gh

CAT: 1299-RM-C151307-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C151307-01Size:10 mg
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CAS Number
1795130-17-4
Synonyms
2- (2-chloro-4- (2-chloro-1,2-diphenylvinyl) phenoxy) -N, N-diethylethan-1-amine
Molecular Formula
C26H27Cl2NO
Molecular Weight
440.41
Target Alternative Name
Clomifene Citrate
Product Name Synonym
2- (2-chloro-4- (2-chloro-1,2-diphenylvinyl) phenoxy) -N, N-diethylethan-1-amine

Chemical Information

2-(2-chloro-4-(2-chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanamine
CAS Number1795130-17-4
PubChem CID125278829
IUPAC Name2-[2-chloro-4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine
Molecular FormulaC26H27Cl2NO
Molecular Weight440.4
XLogP7.9
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity521
SMILES
CCN(CC)CCOC1=C(C=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3)Cl
InChI
InChI=1S/C26H27Cl2NO/c1-3-29(4-2)17-18-30-24-16-15-22(19-23(24)27)25(20-11-7-5-8-12-20)26(28)21-13-9-6-10-14-21/h5-16,19H,3-4,17-18H2,1-2H3/b26-25-
InChIKey
UFYSLPYWKZFZJV-QPLCGJKRSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-chloro-4-(2-chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanamine
CAS: 1795130-17-4
CID: 125278829
Formula: C26H27Cl2NO
MW: 440.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight440.4
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass439.1469699
Monoisotopic Mass439.1469699
Topological Polar Surface Area12.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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