Dutasteride Impurity 26

CAT: 1596-AR-D07884-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07884-04Size:100 Units

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

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CAS Number

320-88-7

Molecular Formula

C8H3F6NO2

Molecular Weight

259.11

API Name

Dutasteride

Chemical Information

1-Nitro-2,5-bis(trifluoromethyl)benzene

CAS Number	320-88-7
PubChem CID	2734048
IUPAC Name	2-nitro-1,4-bis(trifluoromethyl)benzene
Molecular Formula	C8H3F6NO2
Molecular Weight	259.10
XLogP	3.5
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	294

SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)15(16)17/h1-3H

InChIKey

BZKVUOHHNCMTLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 320-88-7

CID: 2734048

Formula: C8H3F6NO2

MW: 259.10

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	259.00679731
Monoisotopic Mass	259.00679731
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	294
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