AG008VMM

103979-08-4 | 2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene

AG008VMM

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CAS Number	103979-08-4
Catalog Number	AG008VMM(AGN-PC-00NR9Y)
Chemical Name	2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene
IUPAC Name	2-bromo-3-fluoro-6-nitrophenol
InChI	InChI=1S/C6H3BrFNO3/c7-5-3(8)1-2-4(6(5)10)9(11)12/h1-2,10H
InChI Key	AVUSAMCYDUMVNY-UHFFFAOYSA-N
MDL Number	MFCD18071060
Molecular Formula	C6H3BrFNO3
Molecular Weight	235.9953
SMILES	OC1=C([N+]([O-])=O)C=CC(F)=C1Br
Synonyms	2-Bromo-3-fluoro-6-nitrophenol, 103979-08-4, 2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene, Phenol, 2-bromo-3-fluoro-6-nitro-, SCHEMBL10835047, KS-00000SVC, DTXSID40547868, AVUSAMCYDUMVNY-UHFFFAOYSA-N, MFCD18071060, ZINC34139505, AKOS025286041, DS-9239, 3-Bromo-4-fluoro-2-hydroxynitrobenzene, AK167198, 3-Bromo-4-fluoro-2-hydroxy-1-nitrobenzene, CS-0041716,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.928g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.996g/mol
Monoisotopic Mass	234.928g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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