Tamoxifen Citrate Impurity 9

CAT: 1299-RM-T130609-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T130609-01Size:10 mg

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CAS Number

69967-80-2

Synonyms

(Z) -4- (1,2-diphenylbut-1-en-1-yl) phenol

Molecular Formula

C22H20O

Molecular Weight

300.39

Target Alternative Name

Tamoxifen

Product Name Synonym

(Z) -4- (1,2-diphenylbut-1-en-1-yl) phenol

Chemical Information

4-[(Z)-1,2-diphenylbut-1-enyl]phenol

CAS Number	69967-80-2
PubChem CID	6366969
IUPAC Name	4-[(Z)-1,2-diphenylbut-1-enyl]phenol
Molecular Formula	C22H20O
Molecular Weight	300.4
XLogP	6.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	377

SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)O)/C3=CC=CC=C3

InChI

InChI=1S/C22H20O/c1-2-21(17-9-5-3-6-10-17)22(18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,23H,2H2,1H3/b22-21-

InChIKey

YJVFSITVRZYTHO-DQRAZIAOSA-N

Chemical Structure

2D Structure

CAS: 69967-80-2

CID: 6366969

Formula: C22H20O

MW: 300.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.4
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	300.151415257
Monoisotopic Mass	300.151415257
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	377
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T130615-01	Tamoxifen Citrate Impurity 15
RM-T130614-01	Tamoxifen Citrate Impurity 14
RM-T130618-01	Tamoxifen Citrate Impurity 18
RM-T130612-01	Tamoxifen Citrate Impurity 12
RM-T130616-01	Tamoxifen Citrate Impurity 16
RM-T130601-01	Tamoxifen Citrate EP Impurity A
RM-T130611-01	Tamoxifen Citrate Impurity 11
RM-T130620-01	Tamoxifen Citrate Impurity 20
RM-T130619-01	Tamoxifen Citrate Impurity 19
RM-T130617-01	Tamoxifen Citrate Impurity 17