3-Fluoro-2-nitrobenzoic Acid - CAS 1000339-51-4

Catalog:	BB000009
Product Name:	3-Fluoro-2-nitrobenzoic Acid
CAS:	1000339-51-4
Synonyms:	3-fluoro-2-nitrobenzoic acid; 3-fluoro-2-nitrobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-2-nitrobenzoic acid
Description:	3-Fluoro-2-nitrobenzoic Acid (CAS# 1000339-51-4) is a useful research chemical.
Molecular Weight:	185.11
Molecular Formula:	C7H4FNO4
Canonical SMILES:	C1=CC(=C(C(=C1)F)[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C7H4FNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:	DTGONJAUUOWYGB-UHFFFAOYSA-N
Boiling Point:	354.2 °C at 760 mmHg
Density:	1.568 g/cm³
Appearance:	Solid
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD07368342
LogP:	1.95530

Publication Number	Title	Priority Date
WO-2021126999-A1	Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor	20191217
CN-110357892-A	Tetrahydropyrimidine simultaneously [1,2-a] indole derivatives and its synthetic method and application	20190710
WO-2019191327-A1	Ox2r compounds	20180327
EP-3773566-A1	Ox2r compounds	20180327
US-2021107914-A1	OX2R Compounds	20180327

PMID	Publication Date	Title	Journal
11846667	20020222	Head-to-backbone cyclization of peptides on solid support by nucleophilic aromatic substitution	The Journal of organic chemistry

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.01243577
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.01243577
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4