Methyl 3-Methoxy-4-nitrobenzoate - CAS 5081-37-8

Catalog:	BB027221
Product Name:	Methyl 3-Methoxy-4-nitrobenzoate
CAS:	5081-37-8
Synonyms:	3-methoxy-4-nitrobenzoic acid methyl ester; methyl 3-methoxy-4-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-methoxy-4-nitrobenzoate
Description:	Methyl 3-Methoxy-4-nitrobenzoate (CAS# 5081-37-8) is a useful research chemical.
Molecular Weight:	211.17
Molecular Formula:	C9H9NO5
Canonical SMILES:	COC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
InChI:	InChI=1S/C9H9NO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5H,1-2H3
InChI Key:	PVVFEPFLFHDHHK-UHFFFAOYSA-N
Boiling Point:	350.7 °C at 760 mmHg
Density:	1.294 g/cm³
Appearance:	Crystalline powder
MDL:	MFCD00051967
LogP:	1.91320

Publication Number	Title	Priority Date
WO-2021068866-A1	Heterocyclic compounds as sting modulators	20191010
KR-20200110250-A	Heteroaryl derivatives, and pharmaceutical composition comprising the same	20190313
WO-2020185044-A1	Heteroaryl derivatives and pharmaceutical composition comprising same as active ingredient	20190313
WO-2020048949-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903
EP-3847172-A1	New class of dna gyrase and/or topoisomerase iv inhibitors with activity against gram-positive and gram-negative bacteria	20180903

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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
[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.04807239
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.04807239
Rotatable Bond Count:	3
Topological Polar Surface Area:	81.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6