AG002Q0L

249647-25-4 | Benzoic acid, 3-bromo-4-iodo-

AG002Q0L

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CAS Number	249647-25-4
Catalog Number	AG002Q0L(AGN-PC-013P7B)
Chemical Name	Benzoic acid, 3-bromo-4-iodo-
IUPAC Name	3-bromo-4-iodobenzoic acid
InChI	InChI=1S/C7H4BrIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChI Key	XTSUGBHLVDLGFX-UHFFFAOYSA-N
MDL Number	MFCD06808825
Molecular Formula	C7H4BrIO2
Molecular Weight	326.9139
SMILES	OC(=O)C1=CC(Br)=C(I)C=C1
Synonyms	3-bromo-4-iodobenzoic acid, 249647-25-4, BENZOIC ACID, 3-BROMO-4-IODO-, Intermediates-ZCF02671, AC1Q72YF, 3-Bromo-4-iodo-benzoic acid, SCHEMBL978377, CTK8B6916, DTXSID90586348, XTSUGBHLVDLGFX-UHFFFAOYSA-N, BUTTPARK 100\01-46, KS-00000Q4G, ANW-54815, MFCD06808825, ZINC32627439, AKOS005067575, AS03364, AS04475, CB-2721, CM12518, CS-W006144, MCULE-2773053640, NCGC00339378-01, AC-28538, AJ-85416, AK-80847, BC005196, DS-16052, AB0065313, RT-008612, 4CH-011859, FT-0710633, ST24022737, Z4496, EN300-39071, M-8969, AB00995384-01, AB00995384-03, Z394693566, C7H4BrIO2, 3-Bromo-4-iodobenzoicacid, methyl 3-bromo-4-iodobenzoate, 3-Bromo-4-iodobenzoic acid methyl ester, 3-BROMO-4-IODOBENZOICACIDMETHYLESTER, 249647-24-3,

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