AG008S2K

1086379-56-7 | 4-(5-Bromopyrimidin-2-yloxy)benzoic acid

AG008S2K

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CAS Number	1086379-56-7
Catalog Number	AG008S2K(AGN-PC-0599T8)
Chemical Name	4-(5-Bromopyrimidin-2-yloxy)benzoic acid
IUPAC Name	4-(5-bromopyrimidin-2-yl)oxybenzoic acid
InChI	InChI=1S/C11H7BrN2O3/c12-8-5-13-11(14-6-8)17-9-3-1-7(2-4-9)10(15)16/h1-6H,(H,15,16)
InChI Key	BGVNFFKTAKKZBC-UHFFFAOYSA-N
MDL Number	MFCD09743707
Molecular Formula	C11H7BrN2O3
Molecular Weight	295.0889
SMILES	[Br]C2(=CN=C(OC1(=CC=C(C(=O)O)C=C1))N=C2)
Synonyms	1086379-56-7, 4-(5-Bromopyrimidin-2-yloxy)benzoic acid, 4-((5-Bromopyrimidin-2-yl)oxy)benzoic acid, 4-[(5-Bromopyrimidin-2-yl)oxy]benzoic acid, AK-22198, CTK7I8077, DTXSID10650595, KS-000024IR, ANW-51338, MFCD09743707, SBB052629, ZINC16678735, AKOS006281745, DS-0239, 4-(5-Bromopyrimidin-2-yloxy)benzoicacid, AJ-69103, BC833601, BR-22198, TS-01070, AB0034695, AX8159788, DB-059770, TR-001977, 4CH-008464, FT-0724544, ST24028717, X8888, S-3284, C11H7BrN2O3,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.964g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	295.092g/mol
Monoisotopic Mass	293.964g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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