AG000SMT

1263283-00-6 | Methyl 4-fluoro-2-hydroxy-3-nitrobenzoate

AG000SMT

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CAS Number	1263283-00-6
Catalog Number	AG000SMT(AGN-PC-0WGGKU)
Chemical Name	Methyl 4-fluoro-2-hydroxy-3-nitrobenzoate
IUPAC Name	methyl 4-fluoro-2-hydroxy-3-nitrobenzoate
InChI	InChI=1S/C8H6FNO5/c1-15-8(12)4-2-3-5(9)6(7(4)11)10(13)14/h2-3,11H,1H3
InChI Key	WCFZLXHYGBOJQT-UHFFFAOYSA-N
MDL Number	MFCD18074446
Molecular Formula	C8H6FNO5
Molecular Weight	215.1353
SMILES	FC1=C(C(=C(C(=O)OC)C=C1)O)[N+](=O)[O-]
Synonyms	methyl 4-fluoro-2-hydroxy-3-nitrobenzoate, 1263283-00-6, AKOS015890973, I01-8579, 4-FLUORO-2-HYDROXY-3-NITRO-BENZOIC ACID METHYL ESTER, 4-FLUORO-2-HYDROXY-3-NITRO-BENZOICACIDMETHYLESTER,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.023g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.136g/mol
Monoisotopic Mass	215.023g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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