AG00D8EX

501433-05-2 | 4-Iodo-2,3-difluorobenzoic acid

AG00D8EX

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CAS Number	501433-05-2
Catalog Number	AG00D8EX(AGN-PC-0NCPOW)
Chemical Name	4-Iodo-2,3-difluorobenzoic acid
IUPAC Name	2,3-difluoro-4-iodobenzoic acid
InChI	InChI=1S/C7H3F2IO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,(H,11,12)
InChI Key	YHWFOSYYOBKIHS-UHFFFAOYSA-N
MDL Number	MFCD07368123
Molecular Formula	C7H3F2IO2
Molecular Weight	283.9988
SMILES	O=C(O)C1=CC=C(I)C(F)=C1F
Synonyms	2,3-Difluoro-4-iodobenzoic acid, 501433-05-2, 4-Iodo-2,3-difluorobenzoic acid, AK135717, 2,3-difluoro-4-iodo-benzoic Acid, SCHEMBL6415000, CTK4J2194, DTXSID50448175, KS-00000O5N, Benzoic acid,2,3-difluoro-4-iodo-, MFCD07368123, ZINC21985456, AKOS015888810, AB31747, DS-2974, FCH1382842, AC-14784, ACM501433052, AJ-79355, AN-28099, BC208155, PC500469, 2,3-bis(fluoranyl)-4-iodanyl-benzoic acid, AX8098061, DB-030768, 4CH-019713, FT-0654858, ST24038533, 433I052, A827988, I01-1551, Fmoc-D-Cys(stbu)-OH, 4-IODO-2,3-DIFLUOROBENZOICACID, CID10913033,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.915g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	284g/mol
Monoisotopic Mass	283.915g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number