Methyl 4-Chloro-2,6-dinitrobenzoate - CAS 100418-47-1

Name: Methyl 4-Chloro-2,6-dinitrobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000221
Product Name:	Methyl 4-Chloro-2,6-dinitrobenzoate
CAS:	100418-47-1
Synonyms:	4-chloro-2,6-dinitrobenzoic acid methyl ester; methyl 4-chloro-2,6-dinitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-chloro-2,6-dinitrobenzoate
Description:	Methyl 4-Chloro-2,6-dinitrobenzoate (CAS# 100418-47-1 ) is a useful research chemical.
Molecular Weight:	260.59
Molecular Formula:	C8H5ClN2O6
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI:	InChI=1S/C8H5ClN2O6/c1-17-8(12)7-5(10(13)14)2-4(9)3-6(7)11(15)16/h2-3H,1H3
InChI Key:	UANMWPWYANJDGT-UHFFFAOYSA-N
LogP:	2.98940

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Publication Number	Title	Priority Date
AT-394555-B	METHOD FOR PRODUCING NEW IMINOTHIAZOLIDINE DERIVATIVES	19840425
CH-664564-A5	IMINOTHIAZOLIDINE DERIVATIVES.	19840425
DD-231790-A5	PROCESS FOR THE PREPARATION OF NEW IMINOTHIAZOLIDERIVATE	19840425
FI-82454-B	FOERFARANDE FOER FRAMSTAELLNING AV TERAPEUTISKT AKTIVA IMINOTIAZOLIDINDERIVAT.	19840425
FI-82454-C	Process for the preparation of therapeutically active iminothiazolidines ivat	19840425

Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.9836136
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.9836136
Rotatable Bond Count:	2
Topological Polar Surface Area:	118
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1