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N-Nitro-diphenylamine

CAT: 0024-sc-208048Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-208048Size:50 mg
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CAS Number
31432-60-7

Chemical Information

N,N-Diphenylnitramide
CAS Number31432-60-7
PubChem CID14971188
IUPAC NameN,N-diphenylnitramide
Molecular FormulaC12H10N2O2
Molecular Weight214.22
XLogP4.1
Topological Polar Surface Area49.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity210
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
AYLBVKUPVXVTSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Diphenylnitramide
CAS: 31432-60-7
CID: 14971188
Formula: C12H10N2O2
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass214.074227566
Monoisotopic Mass214.074227566
Topological Polar Surface Area49.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity210
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