AG001VNP

161531-51-7 | Benzoic acid, 2,​4-​difluoro-​5-​iodo-

AG001VNP

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CAS Number	161531-51-7
Catalog Number	AG001VNP(AGN-PC-0NGDDO)
Chemical Name	Benzoic acid, 2,​4-​difluoro-​5-​iodo-
IUPAC Name	2,4-difluoro-5-iodobenzoic acid
InChI	InChI=1S/C7H3F2IO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key	OSBABFNFGBPWGL-UHFFFAOYSA-N
MDL Number	MFCD11226506
Molecular Formula	C7H3F2IO2
Molecular Weight	283.9988
SMILES	C(=O)(O)c1c(F)cc(c(c1)I)F
Synonyms	2,4-DIFLUORO-5-IODOBENZOIC ACID, 161531-51-7, 2,4-difluoro-5-iodo-benzoic Acid, MFCD11226506, Benzoic acid, 2,4-difluoro-5-iodo-, SCHEMBL1045113, CTK0A9736, DTXSID40456325, 5-Iodo-2,4-difluorobenzoic acid, OSBABFNFGBPWGL-UHFFFAOYSA-N, 8170AA, ANW-65866, BBL100847, STL554641, ZINC36047160, AKOS005255533, MCULE-9804470465, KS-0000054P, AJ-92354, AK-87448, DS-18325, AB0079983, DB-064402, TC-154611, CS-0052150, FT-0757545, ST24038661, Z-2402, A1-01348, Z1474026237, C7H3F2IO2, CID11129795,

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	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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