4-(3-nitrophenyl)benzoic Acid 4-(3-硝基苯基)苯甲酸

CAS 5737-85-9 MFCD01846432

化学结构图

5737-85-9
SMILES: O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1

化学属性

Mol. FormulaC13H9NO4
Mol. Weight243.21
Melting Point>300 °C
Boiling Point449.1±38.0 °C at 760 mmHg

别名和识别编码

Chemical Name3'-Nitro-[1,1'-biphenyl]-4-carboxylic acid
CAS Number5737-85-9
Alfabeta NameNITROBIPHENYLCARBOXYLICACID 3114[]----,''
MDL NumberMFCD01846432
Chemical Name Translation4-(3-硝基苯基)苯甲酸
LabNetwork Molecule IDLN00150538
PubChem Substance ID2753362
InChIInChI=1S/C13H9NO4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)
Synonym 4-(3-Nitrophenyl)benzoic acid {LY} 4-(3-Nitrophenyl)benzoic acid {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(3-Nitrophenyl)
Canonical SMILESC1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)C(=O)O
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分类

  • {KO} Nitros
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
1
LogP
3

系列性分类

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