AG001DMK

146014-66-6 | Benzoic acid, 2-fluoro-6-iodo-, methyl ester

AG001DMK

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CAS Number	146014-66-6
Catalog Number	AG001DMK(AGN-PC-0NI1DU)
Chemical Name	Benzoic acid, 2-fluoro-6-iodo-, methyl ester
IUPAC Name	methyl 2-fluoro-6-iodobenzoate
InChI	InChI=1S/C8H6FIO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key	IGNCVPBULCJIRO-UHFFFAOYSA-N
MDL Number	MFCD12025052
Molecular Formula	C8H6FIO2
Molecular Weight	280.0349
SMILES	COC(=O)C1=C(C=CC=C1I)F
Synonyms	methyl 2-fluoro-6-iodobenzoate, 146014-66-6, Benzoic acid, 2-fluoro-6-iodo-, methyl ester, Methyl2-fluoro-6-iodobenzoate, SCHEMBL1586780, IGNCVPBULCJIRO-UHFFFAOYSA-, IGNCVPBULCJIRO-UHFFFAOYSA-N, MFCD12025052, ZINC38885103, AKOS024264358, 2-fluoro-6-iodobenzoic acid methyl ester, CS-13383, 2-Fluoro-6-iodo-benzoic acid methyl ester, CS-0030469, FT-0752219, InChI=1/C8H6FIO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.94g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	280.037g/mol
Monoisotopic Mass	279.94g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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