2,6-Difluoro-3-nitrobenzoic Acid - CAS 83141-10-0

Catalog:	BB036976
Product Name:	2,6-Difluoro-3-nitrobenzoic Acid
CAS:	83141-10-0
Synonyms:	2,6-difluoro-3-nitrobenzoic acid; 2,6-difluoro-3-nitrobenzoic acid

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Computed Properties

IUPAC Name:	2,6-difluoro-3-nitrobenzoic acid
Description:	2,6-Difluoro-3-nitrobenzoic Acid (CAS# 83141-10-0) is a useful research chemical.
Molecular Weight:	203.10
Molecular Formula:	C7H3F2NO4
Canonical SMILES:	C1=CC(=C(C(=C1[N+](=O)[O-])F)C(=O)O)F
InChI:	InChI=1S/C7H3F2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChI Key:	PDDHSNODMFIIRV-UHFFFAOYSA-N
Boiling Point:	335.5 °C at 760 mmHg
Density:	1.661 g/cm³
MDL:	MFCD00119291
LogP:	2.09440

Publication Number	Title	Priority Date
US-2020407344-A1	Compounds for the treatment of braf-associated diseases and disorders	20190628
WO-2020261156-A1	Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders	20190628
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WO-2020051564-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907
AU-2019335516-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.00301390
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.00301390
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5