3-Chloro-4-nitrobenzaldehyde - CAS 57507-34-3

Catalog:	BB029727
Product Name:	3-Chloro-4-nitrobenzaldehyde
CAS:	57507-34-3
Synonyms:	3-chloro-4-nitrobenzaldehyde; 3-chloro-4-nitrobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-4-nitrobenzaldehyde
Description:	3-Chloro-4-nitrobenzaldehyde acts as a reagent for the synthetic preparation of [(pyridinyl)oxadiazolyl]ethanone derivatives and the deteremination of their activity as antioxidants.
Molecular Weight:	185.56
Molecular Formula:	C7H4ClNO3
Canonical SMILES:	C1=CC(=C(C=C1C=O)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C7H4ClNO3/c8-6-3-5(4-10)1-2-7(6)9(11)12/h1-4H
InChI Key:	LINXIPJBQRYFHA-UHFFFAOYSA-N
Appearance:	Solid
LogP:	2.58390

Publication Number	Title	Priority Date
JP-2015069876-A	Conductive paste, metal thin film, and manufacturing method thereof	20130930
AU-2012228090-A1	Pyrrolopyridineamino derivatives as Mps1 inhibitors	20110314
AU-2012228090-B2	Pyrrolopyridineamino derivatives as Mps1 inhibitors	20110314
CA-2830143-A1	Pyrrolopyridineamino derivatives as mps1 inhibitors	20110314
CA-2830143-C	Pyrrolopyridineamino derivatives as mps1 inhibitors	20110314

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.9879707
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.9879707
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9