Methyl 2-Methyl-4-nitrobenzoate - CAS 62621-09-4

Catalog:	BB031694
Product Name:	Methyl 2-Methyl-4-nitrobenzoate
CAS:	62621-09-4
Synonyms:	2-methyl-4-nitrobenzoic acid methyl ester; methyl 2-methyl-4-nitrobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-methyl-4-nitrobenzoate
Description:	Methyl 2-Methyl-4-nitrobenzoate (CAS# 62621-09-4) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
InChI:	InChI=1S/C9H9NO4/c1-6-5-7(10(12)13)3-4-8(6)9(11)14-2/h3-5H,1-2H3
InChI Key:	JJHCLPDHYBSSHC-UHFFFAOYSA-N
Boiling Point:	315.445 °C at 760 mmHg
Density:	1.256 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
Appearance:	Light yellow powder
MDL:	MFCD03618407
LogP:	2.21300

Publication Number	Title	Priority Date
CN-113045559-A	Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof	20210315
WO-2021207291-A1	Compounds and uses thereof	20200406
WO-2021155321-A2	Compounds and uses thereof	20200129
CN-112979656-A	Compound for targeted degradation of BTK protein	20191212
US-2019192668-A1	Irak degraders and uses thereof	20171226

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2