AG004X5W

84403-70-3 | 4-[(3-Chlorobenzyl)oxy]benzoic acid

AG004X5W

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CAS Number	84403-70-3
Catalog Number	AG004X5W(AGN-PC-0LWAA4)
Chemical Name	4-[(3-Chlorobenzyl)oxy]benzoic acid
IUPAC Name	4-[(3-chlorophenyl)methoxy]benzoic acid
InChI	InChI=1S/C14H11ClO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key	QMXPJNHJNFUZAT-UHFFFAOYSA-N
MDL Number	MFCD04114337
Molecular Formula	C14H11ClO3
Molecular Weight	262.6883
SMILES	O=C(O)C1=CC=C(OCC2=CC=CC(Cl)=C2)C=C1
Synonyms	84403-70-3, 4-((3-Chlorobenzyl)oxy)benzoic acid, 4-[(3-chlorobenzyl)oxy]benzoic acid, 4-(3-Chloro-benzyloxy)-benzoic acid, 4-[(3-chlorophenyl)methoxy]benzoic Acid, Benzoic acid,4-[(3-chlorophenyl)methoxy]-, AC1OE08G, SCHEMBL6522344, CTK5F2275, DTXSID50427521, 4-(3-chlorobenzyloxy)benzoic acid, ALBB-008999, ZINC2599142, ZX-AN007894, 0447AF, BBL014111, IMED64818558, MFCD04114337, STK501025, AKOS005172000, MCULE-4889114707, AJ-43883, AX8029702, DB-076032, TR-060898, FT-0679465, Y-9700, 4-[(3-Chlorobenzyl)oxy]benzoic acid, AldrichCPR, A840774, I01-14280, C14H11ClO3, CID7023630,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.04g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.689g/mol
Monoisotopic Mass	262.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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