AG002TG5

264927-52-8 | Benzoic acid, 2-chloro-4-fluoro-5-iodo-

AG002TG5

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CAS Number	264927-52-8
Catalog Number	AG002TG5(AGN-PC-0WAN3V)
Chemical Name	Benzoic acid, 2-chloro-4-fluoro-5-iodo-
IUPAC Name	2-chloro-4-fluoro-5-iodobenzoic acid
InChI	InChI=1S/C7H3ClFIO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key	PXQFJWCRWMFMEG-UHFFFAOYSA-N
MDL Number	MFCD24107204
Molecular Formula	C7H3ClFIO2
Molecular Weight	300.4534
SMILES	O=C(O)C1=CC(I)=C(F)C=C1Cl
Synonyms	2-Chloro-4-fluoro-5-iodobenzoic acid, 264927-52-8, 2-chloro-4-fluoro-5-iodo-benzoic acid, SCHEMBL7082885, KS-00000RQC, DTXSID70629444, MFCD24107204, ZINC95642790, AKOS020007843, DS-5883, QC-8612, AK137717, Benzoic acid, 2-chloro-4-fluoro-5-iodo-, AB0097376, AJ-133439, Z-8839,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.885g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	300.452g/mol
Monoisotopic Mass	299.885g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^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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