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2- (Methyl-d3) -6-nitroaniline

CAT: 0804-HY-W701389-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W701389-01Size:1 mg
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Description
2- (Methyl-d3) -6-nitroaniline is the deuterium labeled 2-Methyl-6-nitroaniline.
CAS Number
1246816-42-1
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
[2H]C([2H])(C1=C(N)C([N+]([O-])=O)=CC=C1)[2H]
Molecular Formula
C7H5D3N2O2
Molecular Weight
155.17
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-Methyl-6-nitroaniline-d3
CAS Number1246816-42-1
PubChem CID71750488
IUPAC Name2-nitro-6-(trideuteriomethyl)aniline
Molecular FormulaC7H8N2O2
Molecular Weight155.17
XLogP2
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
[2H]C([2H])([2H])C1=C(C(=CC=C1)[N+](=O)[O-])N
InChI
InChI=1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3/i1D3
InChIKey
FCMRHMPITHLLLA-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-6-nitroaniline-d3
CAS: 1246816-42-1
CID: 71750488
Formula: C7H8N2O2
MW: 155.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.17
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass155.077407740
Monoisotopic Mass155.077407740
Topological Polar Surface Area71.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
0171482-Methyl-6-nitroaniline-d3
0171472-Methyl-4-nitroaniline-d3
TRC-M323557-50MGN-Methyl-2-nitroaniline-d3
M3519-82-012-Methyl-6-nitroaniline
M227402-Methyl-6-Nitroaniline 98%
CS-O-42373N, N-di (methyl-d3) -4-nitroaniline
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