AG00EGS5

649736-31-2 | 1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one

AG00EGS5

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CAS Number	649736-31-2
Catalog Number	AG00EGS5(AGN-PC-03O94O)
Chemical Name	1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
EC Number	613-732-6
IUPAC Name	1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
InChI	InChI=1S/C9H8FNO4/c1-5(12)4-6-7(11(14)15)2-3-8(13)9(6)10/h2-3,13H,4H2,1H3
InChI Key	IPRZVDNMKMONNN-UHFFFAOYSA-N
MDL Number	MFCD11869874
Molecular Formula	C9H8FNO4
Molecular Weight	213.1625
SMILES	CC(CC1=C([N+]([O-])=O)C=CC(O)=C1F)=O
Synonyms	1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one, 649736-31-2, MFCD11869874, AK-50297, 1-(2-Fluoro-3-hydroxy-6-nitrophenyl)-2-propanone, 2-Propanone, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)-, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-1-one, SCHEMBL1226349, CTK2A1083, KS-00000OPO, DTXSID40624961, IPRZVDNMKMONNN-UHFFFAOYSA-N, ANW-61262, ZINC31777100, AKOS015841081, ACN-036358, QC-1041, AC-25070, AJ-84357, AM807463, DS-15378, AB0000070, AX8212416, DB-025467, ST2403103, TC-067606, 4CH-018949, CS-0060859, FT-0654161, W7640, S-1176, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)-propan-2-one, 1-(2-fluoro-3-hydroxy-6nitrophenyl)-propan-2-one, I01-6092, 1-(2-Fluoro-3-hydroxy-6-nitro-phenyl)-propan-1-one, C9H8FNO4, A11721,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.044g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.164g/mol
Monoisotopic Mass	213.044g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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