AG002VP7

28547-29-7 | Benzoic acid, 2-bromo-4-iodo-

AG002VP7

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CAS Number	28547-29-7
Catalog Number	AG002VP7(AGN-PC-02S9TC)
Chemical Name	Benzoic acid, 2-bromo-4-iodo-
IUPAC Name	2-bromo-4-iodobenzoic acid
InChI	InChI=1S/C7H4BrIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key	APGWJGNOWJHSLW-UHFFFAOYSA-N
MDL Number	MFCD11520409
Molecular Formula	C7H4BrIO2
Molecular Weight	326.9139
SMILES	Ic1ccc(c(c1)Br)C(=O)O
Synonyms	2-Bromo-4-iodobenzoic acid, 28547-29-7, Benzoic acid, 2-bromo-4-iodo-, 4-iodo-2-bromobenzoic acid, 2-Bromo -4-iodobenzoic acid, 2-Bromo-4-iodo benzoic acid, SCHEMBL14321445, CTK8B6833, DTXSID80606322, APGWJGNOWJHSLW-UHFFFAOYSA-N, 2-bromanyl-4-iodanyl-benzoic acid, ACT12953, ANW-54556, MFCD11520409, ZINC54962363, AKOS015889370, AM61441, CS-W019733, KS-000002K1, AK-61744, AS-19420, SY034355, AB0033962, AJ-112506, TC-143301, 4CH-010864, FT-0658900, ST24022058, X8039, MFCD11520409 (95%), M-8013, A819485, A1-00233, I01-1833, C7H4BrIO2, 2-Bromo-4-iodobenzoicacid, N-Methyl-4-nitrophenethylamine hydrochloride, 166943-39-1,

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	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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