Nitroxynil-13C6

CAT: 1596-AR-N01669-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N01669-02Size:25 Units

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CAS Number

1325559-31-6

Synonyms

4-hydroxy-3-iodo-5-nitrobenzonitrile-13C6;4-Hydroxy-3-iodo-5-nitrobenzonitrile-13C6; 2-Iodo-4-cyano-6-nitrophenol-13C6; 3-Iodo-5-nitro-4-hydroxybenzonitrile-13C6; 3-Nitro-4-hydroxy-5-iodobenzonitrile-13C6; 3-Nitro-5-iodo-4-hydroxybenzonitrile-13C6; 4-Cyano-2-iodo-6-nitrophenol-13C6; Nitroxynil-13C6; Nitroxynil-13C6

Molecular Formula

C7H3IN2O3

Molecular Weight

295.95

API Name

Nitroxynil

Chemical Information

Nitroxinil-13C6

CAS Number	1325559-31-6
PubChem CID	71312576
IUPAC Name	4-hydroxy-5-iodo-3-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonitrile
Molecular Formula	C7H3IN2O3
Molecular Weight	295.97
XLogP	2.3
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	256

SMILES

[13CH]1=[13C]([13CH]=[13C]([13C](=[13C]1[N+](=O)[O-])O)I)C#N

InChI

InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H/i1+1,2+1,4+1,5+1,6+1,7+1

InChIKey

SGKGVABHDAQAJO-ZRDHQLPYSA-N

Chemical Structure

2D Structure

CAS: 1325559-31-6

CID: 71312576

Formula: C7H3IN2O3

MW: 295.97

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	295.97
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	295.93897
Monoisotopic Mass	295.93897
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	256
Isotope Atom Count	6
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

Related Products

Catalog	Name
AR-N01668-01	Nitroxynil (Nitroxinil)
AR-D06377-01	Dapagliflozin-13C6 (Glucitol-13C6)
AR-C07088-01	Chidamide-13C6 (Tucidinostat-13C6)
AR-S09322-01	Sulfamerazine-13C6 (phenyl-13C6)
AR-D01688-01	Dichlorphenamide-13C6 (Diclofenamide-13C6)
AR-B06801-01	Benzoresorcinol-13C6 (2,4-Dihydroxybenzophenone-13C6)
AR-L01595-01	Levothyroxine-13C6
AR-I01887-01	Isoproturon-13C6
AR-E10448-01	Estradiol-13C6
AR-E09750-01	Empagliflozin-13C6

Alternative Products

Catalog	Name
FN31895	Nitroxynil
HY-W049875R-01	Nitroxynil (Standard)
TMIJ-0153-01	Dapagliflozin-13C6 (glucitol-13C6)
CS-I-00438	Menaquinone-7-[13C6] (MK7-[13C6])
166629	Sucrose-13C6-glu-13C6-fru
CS-I-00437	Menaquinone-4-[13C6] (MK4-[13C6])
CS-I-00439	Menaquinone-9-[13C6] (MK-9-[13C6])
CS-O-57329	Luminol-13C6 sodium salt (aniline-13C6)
HY-15388S2	Tazarotene-13C6
HY-13553S1	Anidulafungin-13C6

Nitroxynil-13C6

Chemical Information

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