AG003FAT

94010-78-3 | Difluoro(4-fluorophenyl)acetic acid

AG003FAT

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CAS Number	94010-78-3
Catalog Number	AG003FAT(AGN-PC-02OO7W)
Chemical Name	Difluoro(4-fluorophenyl)acetic acid
IUPAC Name	2,2-difluoro-2-(4-fluorophenyl)acetic acid
InChI	InChI=1S/C8H5F3O2/c9-6-3-1-5(2-4-6)8(10,11)7(12)13/h1-4H,(H,12,13)
InChI Key	POBKFWBINPQWMW-UHFFFAOYSA-N
MDL Number	MFCD11167795
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
SMILES	O=C(O)C(F)(F)C1=CC=C(F)C=C1
Synonyms	2,2-difluoro-2-(4-fluorophenyl)acetic acid, 94010-78-3, difluoro(4-fluorophenyl)acetic acid, AC1Q71RO, SCHEMBL162450, CTK5H4541, DTXSID00603919, POBKFWBINPQWMW-UHFFFAOYSA-N, KS-00000CZ4, 5318AJ, MFCD11167795, STK518697, ZINC20213078, AKOS002289557, AB63733, MCULE-8416902521, NE60048, NCGC00340546-01, AS-43283, SY033022, 2,2-Difluoro-2-(4-fluorophenyl)aceticAcid, FT-0666827, ST45229154, 2,2-difluoro-2-(4-fluorophenyl) acetic acid, alpha,alpha-Difluoro-4-fluorophenylacetic acid, EN300-55774, MFCD11167795 (97%), AB01333723-02, ALPHA,ALPHA,4-TRIFLUOROBENZENEACETIC ACID, 2,2-Difluoro-2- aceticAcid, C8H5F3O2, |A,|A,4-Trifluorobenzeneacetic Acid,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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