5-(4-Nitrophenyl)furan-2-carboxylic Acid - CAS 28123-73-1

Catalog:	BB019773
Product Name:	5-(4-Nitrophenyl)furan-2-carboxylic Acid
CAS:	28123-73-1
Synonyms:	5-(4-nitrophenyl)-2-furancarboxylic acid; 5-(4-nitrophenyl)furan-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-(4-nitrophenyl)furan-2-carboxylic acid
Description:	5-(4-Nitrophenyl)furan-2-carboxylic Acid (CAS# 28123-73-1) is a useful research chemical.
Molecular Weight:	233.18
Molecular Formula:	C11H7NO5
Canonical SMILES:	C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C11H7NO5/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)
InChI Key:	FXZTYDPWMQBTDH-UHFFFAOYSA-N
Boiling Point:	451.4 °C at 760 mmHg
Density:	1.44 g/cm³
MDL:	MFCD00094261
LogP:	3.07620

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.03242232
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.03242232
Rotatable Bond Count:	2
Topological Polar Surface Area:	96.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3