AG00G378

825-98-9 | 3-Fluoro-4-iodobenzoic acid

AG00G378

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CAS Number	825-98-9
Catalog Number	AG00G378(AGN-PC-0NLG0F)
Chemical Name	3-Fluoro-4-iodobenzoic acid
IUPAC Name	3-fluoro-4-iodobenzoic acid
InChI	InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChI Key	KPMBAMKKTJSICO-UHFFFAOYSA-N
MDL Number	MFCD07774250
Molecular Formula	C7H4FIO2
Molecular Weight	266.0083
SMILES	FC1=C(C=CC(=C1)C(=O)O)I
Synonyms	3-fluoro-4-iodobenzoic acid, 825-98-9, 3-Fluoro-4-Iodobenzoicacid, Benzoic acid, 3-fluoro-4-iodo-, PubChem1388, SCHEMBL788761, CTK4F0683, KS-00000NLX, DTXSID40625231, KPMBAMKKTJSICO-UHFFFAOYSA-N, 1H-Imidazole,1-(4-nitrophenyl)-, 3-fluoranyl-4-iodanyl-benzoic acid, AC1Q7311, ACT00806, ANW-49727, MFCD07774250, ZINC26892809, AKOS015890239, AM61677, CM12739, CS-W003418, GS-4105, MCULE-1083812065, RP29475, TF10448, 3-Fluoro-4-iodobenzoic acid, AldrichCPR, AC-26048, AJ-82664, AK-36475, BR-36475, SC-06875, SY023172, AB0031401, RT-025026, ST2410688, FT-0657938, X4487, EN300-69554, MFCD07774250 (95%), S-2842, A816487, I01-6268, J-512489, Z1259273132, C7H4FIO2, A15969, 2301-25-9,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.924g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	266.01g/mol
Monoisotopic Mass	265.924g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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