Dutasteride Impurity 20

CAT: 1596-AR-D07879-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-D07879-05Size:150

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CAS Number

3822-20-6

Molecular Formula

C8H5F6N

Molecular Weight

229.13

API Name

Dutasteride

Chemical Information

2,3-Bis(trifluoromethyl)aniline

CAS Number	3822-20-6
PubChem CID	19980662
IUPAC Name	2,3-bis(trifluoromethyl)aniline
Molecular Formula	C8H5F6N
Molecular Weight	229.12
XLogP	3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	220

SMILES

C1=CC(=C(C(=C1)N)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C8H5F6N/c9-7(10,11)4-2-1-3-5(15)6(4)8(12,13)14/h1-3H,15H2

InChIKey

OUYTZPOGDMVMNL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3822-20-6

CID: 19980662

Formula: C8H5F6N

MW: 229.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	229.12
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	229.03261814
Monoisotopic Mass	229.03261814
Topological Polar Surface Area	26 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes