AG003KA2

27913-58-2 | 4-(P-IODOPHENYL)BUTYRIC ACID

AG003KA2

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CAS Number	27913-58-2
Catalog Number	AG003KA2(AGN-PC-0LEQT1)
Chemical Name	4-(P-IODOPHENYL)BUTYRIC ACID
IUPAC Name	4-(4-iodophenyl)butanoic acid
InChI	InChI=1S/C10H11IO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChI Key	OGOMLUBUDYFIOG-UHFFFAOYSA-N
MDL Number	MFCD00063353
Molecular Formula	C10H11IO2
Molecular Weight	290.0976
SMILES	C(CCC(=O)O)c1ccc(cc1)I
Synonyms	4-(p-Iodophenyl)butyric acid, 27913-58-2, 4-(4-iodophenyl)butanoic Acid, Benzenebutanoic acid, 4-iodo-, ACMC-20amu1, AC1NEO9M, 4-Iodobenzenebutanoic acid, AC1Q75DQ, 4-(P-Iodophenyl)butyricacid, Benzenebutanoic acid,4-iodo-, 4(4-iodophenyl)butanoic acid, SCHEMBL452845, 4-(4-iodophenyl)butyric acid, 4-(p-iodophenyl)-butyric acid, CTK8C5906, DTXSID50405208, OGOMLUBUDYFIOG-UHFFFAOYSA-N, ZINC402985, MFCD00063353, VT1082, AKOS009208693, BBV-183174, GS-5422, VZ27944, 4-(p-Iodophenyl)butyric acid, >=98%, KS-0000261L, AK327765, DB-047297, TC-169264, FT-0638731, C-18198, J-016918, 4- BUTYRICACID, CID4645427,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.98g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	290.1g/mol
Monoisotopic Mass	289.98g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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