AG0094PY

1039621-73-2 | 2-Pyridineacetic acid, a,a-difluoro-

AG0094PY

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CAS Number	1039621-73-2
Catalog Number	AG0094PY(AGN-PC-0WCAZ7)
Chemical Name	2-Pyridineacetic acid, a,a-difluoro-
IUPAC Name	2,2-difluoro-2-pyridin-2-ylacetic acid
InChI	InChI=1S/C7H5F2NO2/c8-7(9,6(11)12)5-3-1-2-4-10-5/h1-4H,(H,11,12)
InChI Key	YSLRWDAJQZZLAQ-UHFFFAOYSA-N
MDL Number	MFCD11858606
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
SMILES	C(C(=O)O)(F)(F)c1ccccn1
Synonyms	1039621-73-2, 2,2-DIFLUORO-2-(PYRIDIN-2-YL)ACETIC ACID, Difluoro(pyridin-2-yl)acetic acid, SCHEMBL1773218, CTK7I4302, KS-000003OR, MFCD11858606, SBB052979, ZINC36533707, 2-Pyridineacetic acid, a,a-difluoro-, AKOS012989583, PB10956, 2,2-difluoro-2-(2-pyridyl)acetic acid, 2,2-difluoro-2-pyridin-2-ylacetic acid, TS-02367, CS-0052190, Q-1496,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.119g/mol
Monoisotopic Mass	173.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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