N-Methyl-4-nitrobenzamide - CAS 2585-23-1

Catalog:	BB019051
Product Name:	N-Methyl-4-nitrobenzamide
CAS:	2585-23-1
Synonyms:	N-methyl-4-nitrobenzamide; N-methyl-4-nitrobenzamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-methyl-4-nitrobenzamide
Description:	N-Methyl-4-nitrobenzamide (CAS# 2585-23-1) is a useful research chemical.
Molecular Weight:	180.16
Molecular Formula:	C8H8N2O3
Canonical SMILES:	CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI:	InChI=1S/C8H8N2O3/c1-9-8(11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11)
InChI Key:	UZWAQQSVGQEZRY-UHFFFAOYSA-N
Boiling Point:	382.6 °C at 760 mmHg
Density:	1.272 g/cm³
LogP:	1.86850

Publication Number	Title	Priority Date
CN-113372334-A	2- (4-methionyl) anilino-4-amino-5-trifluoromethylpyrimidine derivatives and application thereof	20210525
CN-112592318-A	2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof	20201212
KR-102070265-B1	Novel [1,2,4]Triazolo[4,3-a]quinoxaline derivatives, preparation method therof, and pharmaceutical composition for use in preventing or treating BET protein related diseases containing the same as an active ingredient	20170126
CN-108473490-A	New pyrrole simultaneously [3,2-c] pyridine -6- aminoderivatives	20151221
CN-108026072-A	Substituted oxo pyridine derivative	20150709

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.05349212
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.05349212
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1