AG001B88

139548-97-3 | Phenol, 3,6-difluoro-2-nitro-

AG001B88

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CAS Number	139548-97-3
Catalog Number	AG001B88(AGN-PC-0N1IEB)
Chemical Name	Phenol, 3,6-difluoro-2-nitro-
IUPAC Name	3,6-difluoro-2-nitrophenol
InChI	InChI=1S/C6H3F2NO3/c7-3-1-2-4(8)6(10)5(3)9(11)12/h1-2,10H
InChI Key	LDAORTVYRIJMQH-UHFFFAOYSA-N
MDL Number	MFCD22042170
Molecular Formula	C6H3F2NO3
Molecular Weight	175.0897
SMILES	OC1=C(F)C=CC(F)=C1[N+]([O-])=O
Synonyms	3,6-DIFLUORO-2-NITROPHENOL, 139548-97-3, 2,5-difluoro-6-nitrophenol, SCHEMBL103726, DTXSID70437445, Phenol, 3,6-difluoro-2-nitro-, CL9042, MFCD22042170, ZINC38434103, DS-8684, FCH1583150, AJ-95308, AK147148, AX8284628, 3,6-difluoro-2-nitro-phenol, CID10261593,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.008g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.091g/mol
Monoisotopic Mass	175.008g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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