AG003HA7

625471-27-4 | Methyl 2-Fluoro-5-iodobenzoate

AG003HA7

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CAS Number	625471-27-4
Catalog Number	AG003HA7(AGN-PC-04RZE9)
Chemical Name	Methyl 2-Fluoro-5-iodobenzoate
IUPAC Name	methyl 2-fluoro-5-iodobenzoate
InChI	InChI=1S/C8H6FIO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
InChI Key	KJGDRMNKJLVWNQ-UHFFFAOYSA-N
MDL Number	MFCD06203930
Molecular Formula	C8H6FIO2
Molecular Weight	280.0349
SMILES	O=C(OC)C1=CC(I)=CC=C1F
Synonyms	Methyl 2-fluoro-5-iodobenzoate, 625471-27-4, METHYL2-FLUORO-5-IODOBENZOATE, 2-fluoro-5-iodobenzoic acid methyl ester, methyl-2-fluoro-5-iodobenzoate, Benzoic acid, 2-fluoro-5-iodo-, methyl ester, ACMC-20dze7, SCHEMBL130575, CTK5B5287, DTXSID00647499, KJGDRMNKJLVWNQ-UHFFFAOYSA-N, KS-000010XX, MFCD06203930, ZINC21299801, AKOS017560761, CM12734, CJ-16871, PS-11669, SC-45368, 2-fluoro-5-iodo-benzoic acid methyl ester, TL8004179, TX-016413, FT-0733637, Z-2847,

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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