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1-Bromo-2-fluoro-4-methoxy-3-nitrobenzene

1-Bromo-2-fluoro-4-methoxy-3-nitrobenzene - CAS 1352317-80-6

Catalog:	BB008103
Product Name:	1-Bromo-2-fluoro-4-methoxy-3-nitrobenzene
CAS:	1352317-80-6
Synonyms:	1-bromo-2-fluoro-4-methoxy-3-nitrobenzene; 1-bromo-2-fluoro-4-methoxy-3-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-fluoro-4-methoxy-3-nitrobenzene
Description:	1-Bromo-2-fluoro-4-methoxy-3-nitrobenzene (CAS# 1352317-80-6) is a useful research chemical.
Molecular Weight:	250.02
Molecular Formula:	C7H5BrFNO3
Canonical SMILES:	COC1=C(C(=C(C=C1)Br)F)[N+](=O)[O-]
InChI:	InChI=1S/C7H5BrFNO3/c1-13-5-3-2-4(8)6(9)7(5)10(11)12/h2-3H,1H3
InChI Key:	LJJAOMRFFXQENV-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	3.02820

Publication Number	Title	Priority Date
EP-3347361-A1	Tricyclic pi3k inhibitor compounds and methods of use	20150908
JP-2018526393-A	Tricyclic PI3K inhibitor compounds and methods of use	20150908
US-10065970-B2	Tricyclic PI3K inhibitor compounds and methods of use	20150908
US-10435414-B2	Tricyclic PI3K inhibitor compounds and methods of use	20150908
US-2018065983-A1	Tricyclic pi3k inhibitor compounds and methods of use	20150908

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GHS Hazard Statement:	H302 (100%): 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:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.94368
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.94368
Rotatable Bond Count:	1
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5