Dutasteride Impurity 24

CAT: 1596-AR-D07882-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07882-03Size:50 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

328-93-8

Synonyms

2,5-Bis (trifluoromethyl) aniline

Molecular Formula

C8H5F6N

Molecular Weight

229.13

API Name

Dutasteride

Chemical Information

2,5-Bis(trifluoromethyl)aniline

CAS Number	328-93-8
PubChem CID	719818
IUPAC Name	2,5-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=C1C(F)(F)F)N)C(F)(F)F

InChI

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

InChIKey

XWMVIJUAZAEWIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 328-93-8

CID: 719818

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