AG00DG13

503821-94-1 | 3-Bromo-2-iodobenzoic acid

AG00DG13

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CAS Number	503821-94-1
Catalog Number	AG00DG13(AGN-PC-004WKJ)
Chemical Name	3-Bromo-2-iodobenzoic acid
IUPAC Name	3-bromo-2-iodobenzoic acid
InChI	InChI=1S/C7H4BrIO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChI Key	RBFCXOXAEIWXRW-UHFFFAOYSA-N
MDL Number	MFCD15527220
Molecular Formula	C7H4BrIO2
Molecular Weight	326.9139
SMILES	O=C(O)C1=CC=CC(Br)=C1I
Synonyms	3-BROMO-2-IODOBENZOIC ACID, 503821-94-1, 2-iodo-3-bromobenzoic acid, 3-bromo-2-iodo benzoic acid, SCHEMBL3266996, CTK8B9056, DTXSID10459621, RBFCXOXAEIWXRW-UHFFFAOYSA-N, KS-00000PA5, 6920AB, ANW-61916, MFCD15527220, ZINC62826849, AKOS012414517, MCULE-7983847757, NE43988, AK-73145, DS-15314, AJ-114265, ST2410508, TC-150661, 4CH-010990, FT-0732602, Z1416282540, C7H4BrIO2, 3-Bromo-2-iodobenzoicacid, 3-bromo-2-iodo-benzoic Acid, ACN-052115, CID11232662,

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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number