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2-[(2,3-dimethylphenyl)(nitroso)amino]benzoic acid

2-[(2,3-dimethylphenyl)(nitroso)amino]benzoic acid

CAS: 2114-63-8

Formula: C15H14N2O3

SMILES: CC1=CC=CC(N(N=O)C2=CC=CC=C2C(O)=O)=C1C

IUPAC: 2-[(2,3-dimethylphenyl)(nitroso)amino]benzoic acid

InChI: InChI=1S/C15H14N2O3/c1-10-6-5-9-13(11(10)2)17(16-20)14-8-4-3-7-12(14)15(18)19/h3-9H,1-2H3,(H,18,19)

Composition: C (66.66%), H (5.22%), N (10.36%), O (17.76%)

Molar Mass: 270.288

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 270.100442319
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YOLMDHKDPNUCER-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.94
Topological Polar Surface Area 69.97
Polarizability 27.93
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 2114-63-8 $24.48-$248.88$24.48$93.84$248.88
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