AG002J9I

20776-54-9 | Benzoic acid, 2-amino-4-iodo-

AG002J9I

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CAS Number	20776-54-9
Catalog Number	AG002J9I(AGN-PC-03TVNG)
Chemical Name	Benzoic acid, 2-amino-4-iodo-
IUPAC Name	2-amino-4-iodobenzoic acid
InChI	InChI=1S/C7H6INO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
InChI Key	KWIIUIVETQQQHX-UHFFFAOYSA-N
MDL Number	MFCD00216518
Molecular Formula	C7H6INO2
Molecular Weight	263.0325
SMILES	O=C(O)C1=CC=C(I)C=C1N
Synonyms	2-Amino-4-iodobenzoic acid, 20776-54-9, 2-amino-4-iodo-benzoic acid, Benzoic acid, 2-amino-4-iodo-, PubChem22552, 4-iodo anthranilic acid, SCHEMBL164836, 2-azanyl-4-iodanyl-benzoic acid, CTK4E5073, DTXSID10627823, KWIIUIVETQQQHX-UHFFFAOYSA-N, ANW-48219, MFCD09800365, ZINC16696812, AKOS015890022, AC-9125, AM82986, AN-7320, CS-W003643, MCULE-1830199007, RP29360, TRA0056199, AJ-69174, AK-34047, BR-34047, QC-10166, SC-24534, SY027629, AB0023327, DB-027623, ST2416393, TC-136964, 4CH-002135, FT-0648004, W4360, S-2317, MFCD09800365 (95+%), 1X-5042, 776A549, A814875, I01-5025, J-507865, Z1741968300, C7H6INO2, CA-302, ACN-037898, CS-O-30531,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.944g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	263.034g/mol
Monoisotopic Mass	262.944g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number