Methyl 3-Fluoro-4-nitrobenzoate - CAS 185629-31-6

Catalog:	BB014238
Product Name:	Methyl 3-Fluoro-4-nitrobenzoate
CAS:	185629-31-6
Synonyms:	3-fluoro-4-nitrobenzoic acid methyl ester; methyl 3-fluoro-4-nitrobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-fluoro-4-nitrobenzoate
Description:	Methyl 3-Fluoro-4-nitrobenzoate (CAS# 185629-31-6) is a useful research chemical.
Molecular Weight:	199.14
Molecular Formula:	C8H6FNO4
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
InChI:	InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3
InChI Key:	FKMZNQQOPCCUTD-UHFFFAOYSA-N
Boiling Point:	314.6 °C at 760 mmHg
Density:	1.388 g/cm³
MDL:	MFCD08444027
LogP:	2.04370

Publication Number	Title	Priority Date
CN-113480534-A	Benzimidazole or azabenzimidazole-6-carboxylic acid compounds and application thereof	20210723
CN-113493447-A	GLP-1 receptor agonists	20200403
WO-2021198981-A1	Antiviral compounds and uses thereof	20200401
KR-20210117194-A	Glp-1 receptor agonists, pharmaceutical composition comprising the same and method for preparing the same	20200318
WO-2021187886-A1	Glp-1 receptor agonist, pharmaceutical composition comprising same, and method for preparing same	20200318

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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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.02808583
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.02808583
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2