CAS 13148-43-1|2-Formyl-5-(3-nitrophenyl)furan|5-(3-Nitrophenyl)furan-2-carboxaldehyde|5-(3-Nitrophenyl)-2-furaldehyde|5-(3-nitrophenyl)furan-2-carbaldehyde|5-(3-nitrophenyl)furan-2-carbaldehyde|5-(...

General Information

Structure

Molecular Formula

C₁₁H₇NO₄

Molecular Mass

217.17758

Exact Mass

217.03750771

Charge

InChI

InChI=1S/C11H7NO4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H

InChIKey

DXUACWQWQDJZMY-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(o1)c1cccc(c1)[N+](=O)[O-]

Isomeric Smiles

[N+](=O)(c1cc(c2oc(cc2)C=O)ccc1)[O-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.2532055

LogD (pH = 7.4)

2.2532055

Log P

2.2532055

Molar Refractivity

57.3713

Polarizability

21.917992

Polar Surface Area

76.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Formyl-5-(3-nitrophenyl)furan5-(3-Nitrophenyl)furan-2-carboxaldehyde5-(3-Nitrophenyl)-2-furaldehyde5-(3-硝基苯)糠醛5-(3-Nitrophenyl)furfural5-(3-硝基苯)-2-呋喃甲醛5-(3-Nitrophenyl)-2-furancarboxaldehyde5-(3-NITROPHENYL)2-FURALDEHYDE5-(3-nitrophenyl)furan-2-carbaldehyde

IUPAC Traditional name

5-(3-nitrophenyl)furan-2-carbaldehyde

IUPAC name

5-(3-nitrophenyl)furan-2-carbaldehyde

Names and Identifiers

Registration numbers

MDL Number

MFCD00046106

CAS Number

13148-43-1

PubChem CID

612417