1-Bromo-5-chloro-2-fluoro-3-nitrobenzene - CAS 1679357-80-2

Catalog:	BB072216
Product Name:	1-Bromo-5-chloro-2-fluoro-3-nitrobenzene
CAS:	1679357-80-2
Synonyms:	1-Bromo-5-chloro-2-fluoro-3-nitrobenzene; 3-BROMO-5-CHLORO-2-FLUORONITROBENZENE

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-bromo-5-chloro-2-fluoro-3-nitrobenzene
Description:	1-Bromo-5-chloro-2-fluoro-3-nitrobenzene
Molecular Weight:	254.44
Molecular Formula:	C6H2BrClFNO2
Canonical SMILES:	C1=C(C=C(C(=C1[N+](=O)[O-])F)Br)Cl
InChI:	InChI=1S/C6H2BrClFNO2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H
InChI Key:	XJLAZXFXRUYJNM-UHFFFAOYSA-N

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H-Glu-nh2 Hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.89415
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.89415
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2