AG003MHD

21740-00-1 | 5-Bromo-2-iodobenzoic acid

AG003MHD

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CAS Number	21740-00-1
Catalog Number	AG003MHD(AGN-PC-0JONGC)
Chemical Name	5-Bromo-2-iodobenzoic acid
IUPAC Name	5-bromo-2-iodobenzoic acid
InChI	InChI=1S/C7H4BrIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key	IGBNDUKRHPTOBP-UHFFFAOYSA-N
MDL Number	MFCD00079717
Molecular Formula	C7H4BrIO2
Molecular Weight	326.9139
NSC Number	190696
SMILES	O=C(O)C1=CC(Br)=CC=C1I
Synonyms	5-Bromo-2-iodobenzoic acid, 21740-00-1, 2-iodo-5-bromobenzoic acid, 5-Bromo-2-iodo-benzoic acid, Benzoic acid, 5-bromo-2-iodo-, MFCD00079717, 5-Bromo-2-iodobenzoicacid, NSC190696, PubChem3789, ACMC-1BFZ2, AC1L71MY, KSC497I6J, SCHEMBL152456, AC1Q72C8, RARECHEM AL BO 0892, AKOS BBV-001713, CTK3J7464, DTXSID50307314, IGBNDUKRHPTOBP-UHFFFAOYSA-N, WT302, 5-Bromo-2-iodobenzoic acid, 97%, ACT12149, ZINC1732278, ANW-24562, RW3548, SBB063437, TD1130, AKOS000122934, AN-1828, AS00873, CB-2724, CM12521, CS-W002338, MCULE-7810321504, NSC-190696, QC-2529, RTR-010209, TRA0082724, KS-0000050F, NCGC00337151-01, AC-23675, AJ-31256, AK-25605, AS-11058, BC002594, BR-25605, SC-02497, SY015033, AB0008628, DB-006972, TR-010209, 21740-00-1 5-bromo-2-iodobenzoic acid, 4CH-006254, A4669, AM20030360, B4296, BB 0262586, FT-0081938, FT-0600934, ST24032926, TL80090351, EN300-04839, M-1180, AB01331224-02, MFCD00079717 (97+%), 740B001, A1-00289, I01-1681, Z56921138, Tetrazol-1-acetic acid, tetrazol-1-ylacetic acid, C7H4BrIO2, CID302939, ACN-054220, 5-Bromo-2-iodobenzoic acid, 98% - 1G 1g,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	325.844g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	326.915g/mol
Monoisotopic Mass	325.844g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number