AG0000OU

1000522-43-9 | 2-Pyridineacetic acid, 5-chloro-

AG0000OU

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CAS Number	1000522-43-9
Catalog Number	AG0000OU(AGN-PC-07XT0C)
Chemical Name	2-Pyridineacetic acid, 5-chloro-
IUPAC Name	2-(5-chloropyridin-2-yl)acetic acid
InChI	InChI=1S/C7H6ClNO2/c8-5-1-2-6(9-4-5)3-7(10)11/h1-2,4H,3H2,(H,10,11)
InChI Key	AUCKAGADUXSVKT-UHFFFAOYSA-N
MDL Number	MFCD09925072
Molecular Formula	C7H6ClNO2
Molecular Weight	171.5810
SMILES	O=C(O)CC1=NC=C(Cl)C=C1
Synonyms	2-(5-chloropyridin-2-yl)acetic acid, 1000522-43-9, 2-Pyridineacetic acid, 5-chloro-, (5-Chloropyridin-2-yl)acetic acid, SCHEMBL12984996, CTK3J8446, DTXSID20674000, AUCKAGADUXSVKT-UHFFFAOYSA-N, MFCD09925072, ZINC35569924, (5-chloro-pyridin-2-yl)-acetic acid, AKOS006310952, DS-8208, AK173018, SC-33534, TC-072447, CS-0054139, FT-0697139, 2-(5-CHLORO(PYRIDIN-2-YL))ACETIC ACID, 5-chloro-2-Pyridineacetic acid,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.58g/mol
Monoisotopic Mass	171.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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