AG008SW1

1133123-02-0 | 4-Bromo-2-iodobenzoic acid

AG008SW1

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CAS Number	1133123-02-0
Catalog Number	AG008SW1(AGN-PC-023M65)
Chemical Name	4-Bromo-2-iodobenzoic acid
IUPAC Name	4-bromo-2-iodobenzoic acid
InChI	InChI=1S/C7H4BrIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key	JYNKVVLDGGRVFE-UHFFFAOYSA-N
MDL Number	MFCD12767500
Molecular Formula	C7H4BrIO2
Molecular Weight	326.9139
SMILES	O=C(O)C1=CC=C(Br)C=C1I
Synonyms	4-bromo-2-iodobenzoic acid, 1133123-02-0, 2-Iodo-4-bromobenzoic acid, 4-Bromo-2-iodo-benzoic acid, BENZOIC ACID, 4-BROMO-2-IODO-, 4-Bromo-2-iodobenzoicacid, PubChem13466, 2-Iodo-4-bromobenzoicacid, AC1Q72BZ, SCHEMBL12302451, CTK4A8259, KS-00000HRU, DTXSID20597987, JYNKVVLDGGRVFE-UHFFFAOYSA-N, ANW-60989, BBL101429, CK1064, MFCD12767500, STL555225, ZINC37742556, AKOS005258610, AM82916, AS00147, CB-2722, MCULE-2098153856, AJ-94232, AK-73142, AS-18832, BC003752, SY041365, AB0030591, TX-016950, 4CH-021565, CS-0067143, FT-0654213, ST24043390, X2797, EN300-67484, MFCD12767500 (95%), X-4441, Z-9072, AS-813/43501592, I01-2219, Z1270387268, C7H4BrIO2, ACN-054216, 4-Bromo-2-iodobenzoic acid, 98% - 1G 1g, A11752,

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

Certificate of Analysis

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