1-Iodo-2-nitro-4-(trifluoromethyl)benzene - CAS 400-97-5

Catalog:	BB024306
Product Name:	1-Iodo-2-nitro-4-(trifluoromethyl)benzene
CAS:	400-97-5
Synonyms:	1-iodo-2-nitro-4-(trifluoromethyl)benzene; 1-iodo-2-nitro-4-(trifluoromethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-iodo-2-nitro-4-(trifluoromethyl)benzene
Description:	1-Iodo-2-nitro-4-(trifluoromethyl)benzene (CAS# 400-97-5) is a useful research chemical compound.
Molecular Weight:	317.00
Molecular Formula:	C7H3F3INO2
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])I
InChI:	InChI=1S/C7H3F3INO2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H
InChI Key:	CIDKWMAVWQNYNV-UHFFFAOYSA-N
Boiling Point:	261 °C at 760 mmHg
Density:	2.02 g/cm³
MDL:	MFCD07783651
LogP:	3.74140

Publication Number	Title	Priority Date
CN-107325002-A	A kind of synthetic method using aryl carboxylic acid as the aryl halide of raw material	20170628
CN-107325002-B	Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material	20170628
EP-3186225-A1	Cannabinoid type 1 receptor modulators	20140827
WO-2016029310-A1	Cannabinoid type 1 receptor modulators	20140827
AU-2006331917-A1	Orally active purine-based inhibitors of heat shock protein 90	20051222

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Related Functional Groups

Nitrogen Compounds

[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[5334-43-0]
5-Amino-1-phenylpyrazole-4-carbonitrile
[1392212-02-0]
Benzyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	316.91606
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	316.91606
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3