AG007C55

1121586-29-5 | Methyl 4-fluoro-3-iodobenzoate

AG007C55

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CAS Number	1121586-29-5
Catalog Number	AG007C55(AGN-PC-0WD2QC)
Chemical Name	Methyl 4-fluoro-3-iodobenzoate
IUPAC Name	methyl 4-fluoro-3-iodobenzoate
InChI	InChI=1S/C8H6FIO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChI Key	VVVNAJAWYUURAO-UHFFFAOYSA-N
MDL Number	MFCD11870177
Molecular Formula	C8H6FIO2
Molecular Weight	280.0349
SMILES	O=C(OC)C1=CC=C(F)C(I)=C1
Synonyms	METHYL 4-FLUORO-3-IODOBENZOATE, 1121586-29-5, Methyl 3-iodo-4-fluorobenzoate, 4-fluoro-3-iodo-benzoic acid methyl ester, 4-FLUORO-3-IODOBENZOIC ACID METHYL ESTER, SCHEMBL15543900, CTK4A7687, DTXSID40697776, VVVNAJAWYUURAO-UHFFFAOYSA-N, MFCD11870177, ZINC44172055, AKOS015995364, AS00128, AS01246, AS-45888, AB0067808, AJ-109480, FT-0732620, Z-8352, AS-813/43501842, BENZOIC ACID, 4-FLUORO-3-IODO-, METHYL ESTER,

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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