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Lidocaine Impurity 34

CAT: 1299-RM-L040360-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L040360-01Size:10 mg
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CAS Number
74709-95-8
Synonyms
1,3-dimethyl-2,5-dinitrobenzene
Molecular Formula
C8H8N2O
Molecular Weight
196.16
Target Alternative Name
Lidocaine
Product Name Synonym
1,3-dimethyl-2,5-dinitrobenzene

Chemical Information

1,3-Dimethyl-2,5-dinitrobenzene
CAS Number74709-95-8
PubChem CID54300001
IUPAC Name1,3-dimethyl-2,5-dinitrobenzene
Molecular FormulaC8H8N2O4
Molecular Weight196.16
XLogP2.3
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity233
SMILES
CC1=CC(=CC(=C1[N+](=O)[O-])C)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-5-3-7(9(11)12)4-6(2)8(5)10(13)14/h3-4H,1-2H3
InChIKey
SDNAHHNWZYDYHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dimethyl-2,5-dinitrobenzene
CAS: 74709-95-8
CID: 54300001
Formula: C8H8N2O4
MW: 196.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.16
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass196.04840674
Monoisotopic Mass196.04840674
Topological Polar Surface Area91.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes