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3,3'-dinitrobenzidine

3,3'-dinitrobenzidine

CAS: 6271-79-0

Formula: C12H10N4O4

SMILES: NC1=CC=C(C=C1[N+]([O-])=O)C1=CC=C(N)C(=C1)[N+]([O-])=O

IUPAC: 3,3'-dinitro-[1,1'-biphenyl]-4,4'-diamine

InChI: InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2

Composition: C (52.56%), H (3.68%), N (20.43%), O (23.34%)

Molar Mass: 274.236

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 274.070204818
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey OCEINMLGYDSKFW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.24
Topological Polar Surface Area 138.32
Polarizability 27.3
Ring Count 2
Rotatable Bond Count 3

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