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2-(4-nitrophenyl)-1H-1,3-benzodiazole-4-carboxylic acid

2-(4-nitrophenyl)-1H-1,3-benzodiazole-4-carboxylic acid

CAS: 904817-17-0

Formula: C14H9N3O4

SMILES: OC(=O)C1=C2N=C(NC2=CC=C1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 2-(4-nitrophenyl)-1H-1,3-benzodiazole-4-carboxylic acid

InChI: InChI=1S/C14H9N3O4/c18-14(19)10-2-1-3-11-12(10)16-13(15-11)8-4-6-9(7-5-8)17(20)21/h1-7H,(H,15,16)(H,18,19)

Composition: C (59.37%), H (3.20%), N (14.84%), O (22.59%)

Molar Mass: 283.243

Atom Count: 30

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 283.059305782
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey DEOIUABBTFOUKH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.65
Topological Polar Surface Area 109.12
Polarizability 29.11
Ring Count 3
Rotatable Bond Count 3

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97% <14 Days 904817-17-0 $187.11-$280.67$187.11$280.67
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