AG00940J

1202897-48-0 | Methyl 5-fluoro-2-iodobenzoate

AG00940J

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CAS Number	1202897-48-0
Catalog Number	AG00940J(AGN-PC-09TQ5K)
Chemical Name	Methyl 5-fluoro-2-iodobenzoate
IUPAC Name	methyl 5-fluoro-2-iodobenzoate
InChI	InChI=1S/C8H6FIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key	BRUNIDAHRLZQOH-UHFFFAOYSA-N
MDL Number	MFCD12965043
Molecular Formula	C8H6FIO2
Molecular Weight	280.0349
SMILES	COC(=O)C1=C(I)C=CC(F)=C1
Synonyms	methyl 5-fluoro-2-iodobenzoate, 1202897-48-0, 5-fluoro-2-iodobenzoic acid methyl ester, 1202897-48-0 Methyl 5-fluoro-2-iodobenzoate, Methyl 5-fluoro-2-iodobenzoat, methyl 3-fluoro-6-iodobenzoate, SCHEMBL1151008, CTK8C1409, DTXSID90704863, BRUNIDAHRLZQOH-UHFFFAOYSA-N, WT439, KS-00000OK9, 3514AA, ANW-66499, MFCD12965043, WT2196, ZINC71257121, AKOS016004770, AK-43507, BP-20284, DA-17733, DS-14185, SC-51618, 5-Fluoro-2-iodo-benzoic acid methyl ester, AJ-117765, TC-155244, CS-0032319, FT-0749413, ST24047998, K-1430, C8H6FIO2, Methyl5-fluoro-2-iodobenzoate,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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