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1-Bromo-3-fluoro-2-nitrobenzene

1-Bromo-3-fluoro-2-nitrobenzene - CAS 886762-70-5

Catalog:	BB039140
Product Name:	1-Bromo-3-fluoro-2-nitrobenzene
CAS:	886762-70-5
Synonyms:	1-bromo-3-fluoro-2-nitrobenzene; 1-bromo-3-fluoro-2-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-fluoro-2-nitrobenzene
Description:	1-Bromo-3-fluoro-2-nitrobenzene (CAS# 886762-70-5) is a useful research chemical.
Molecular Weight:	220.00
Molecular Formula:	C6H3BrFNO2
Canonical SMILES:	C1=CC(=C(C(=C1)Br)[N+](=O)[O-])F
InChI:	InChI=1S/C6H3BrFNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
InChI Key:	VFPAOFBPEYCAAZ-UHFFFAOYSA-N
Boiling Point:	232 °C at 760 mmHg
Density:	1.808 g/cm³
MDL:	MFCD07368788
LogP:	3.01960

Publication Number	Title	Priority Date
CN-113024560-A	Organic electroluminescent material and device	20191209
WO-2020263790-A1	Olefin polymerization catalysts bearing a thiazole or imidazole	20190626
WO-2020259513-A1	Heterocyclic compounds as inhibitors of kras g12c	20190624
CN-110305058-A	A kind of 4- bromine carbazole preparation method	20190427
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426

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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:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.93312
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.93312
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5