Nilutamide EP Impuirty A

CAT: 1596-AR-N01557-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N01557-01Size:10 Units

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CAS Number

63612-49-7

Synonyms

5-imino-4,4-dimethyl-1- (4-nitro-3- (trifluoromethyl) phenyl) imidazolidin-2-one

Molecular Formula

C12H11F3N4O3

Molecular Weight

316.24

API Name

Nilutamide

Chemical Information

5-Imino-4,4-dimethyl-1-(4-nitro-3-(trifluoromethyl)phenyl)-2-imidazolidinone

CAS Number	63612-49-7
PubChem CID	15342562
IUPAC Name	5-imino-4,4-dimethyl-1-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
Molecular Formula	C12H11F3N4O3
Molecular Weight	316.24
XLogP	2.1
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	515

SMILES

CC1(C(=N)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C12H11F3N4O3/c1-11(2)9(16)18(10(20)17-11)6-3-4-8(19(21)22)7(5-6)12(13,14)15/h3-5,16H,1-2H3,(H,17,20)

InChIKey

HIIVFEJATHLJHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63612-49-7

CID: 15342562

Formula: C12H11F3N4O3

MW: 316.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.24
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	316.07832471
Monoisotopic Mass	316.07832471
Topological Polar Surface Area	102 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	515
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