3-Chloro-5-nitrotoluene - CAS 16582-38-0

Catalog:	BB012220
Product Name:	3-Chloro-5-nitrotoluene
CAS:	16582-38-0
Synonyms:	1-chloro-3-methyl-5-nitrobenzene; 1-chloro-3-methyl-5-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-chloro-3-methyl-5-nitrobenzene
Description:	3-Chloro-5-nitrotoluene (CAS# 16582-38-0) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	CC1=CC(=CC(=C1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C7H6ClNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
InChI Key:	IYHHGLULQDOFGC-UHFFFAOYSA-N
Boiling Point:	253.6 °C at 760 mmHg
Density:	1.324 g/cm³
Appearance:	Solid
LogP:	3.07980

Publication Number	Title	Priority Date
WO-2019025153-A1	USE OF SUBSTITUTED N-SULFONYL-N'-ARYLDIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR THEIR SALTS TO INCREASE STRESSTOLERANCE IN PLANTS	20170731
EP-3322296-A1	Substituted oxo-tetrahydroquinolinyl-phosphinic acid and phosphinic acid amides or salts thereof and use thereof to increase stress tolerance in plants	20150715
WO-2017009321-A1	Substituted oxo-tetrahydroquinolinyl-phosphinic acid and phosphinic acid amides or salts thereof and use thereof to increase stress tolerance in plants	20150715
EP-3256448-A1	Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-yl-sulfonamides or salts thereof and use thereof to increase stress tolerance in plants	20150213
WO-2016128365-A1	Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-yl-sulfonamides or salts thereof and use thereof to increase stress tolerance in plants	20150213

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Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7