AG0029CZ

204257-72-7 | Benzoic acid, 2-fluoro-4-iodo-, methyl ester

AG0029CZ

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CAS Number	204257-72-7
Catalog Number	AG0029CZ(AGN-PC-03TDR4)
Chemical Name	Benzoic acid, 2-fluoro-4-iodo-, methyl ester
IUPAC Name	methyl 2-fluoro-4-iodobenzoate
InChI	InChI=1S/C8H6FIO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3
InChI Key	SCHHLHKOJRWALP-UHFFFAOYSA-N
MDL Number	MFCD11846098
Molecular Formula	C8H6FIO2
Molecular Weight	280.0349
SMILES	O=C(OC)C1=CC=C(I)C=C1F
Synonyms	Methyl 2-Fluoro-4-iodobenzoate, 204257-72-7, Benzoic acid, 2-fluoro-4-iodo-, methyl ester, SCHEMBL5734786, methyl-2-fluoro-4-iodo-benzoate, DTXSID00626567, Methyl 2-fluoro-4-iodo-benzoate, SCHHLHKOJRWALP-UHFFFAOYSA-N, BBL102728, MFCD11846098, STL556534, ZINC36532952, AKOS017343580, CM12732, DS-8578, KS-00000T38, 2-Fluoro-4-iodobenzoic acid methyl ester, AK174064, DA-43315, FT-0752871,

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

Certificate of Analysis

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