AG003MBA

638160-01-7 | 5-[4-(Trifluoromethoxy)phenyl]furan-2-carboxylic Acid

AG003MBA

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CAS Number	638160-01-7
Catalog Number	AG003MBA(AGN-PC-0JYLQG)
Chemical Name	5-[4-(Trifluoromethoxy)phenyl]furan-2-carboxylic Acid
IUPAC Name	5-[4-(trifluoromethoxy)phenyl]furan-2-carboxylic acid
InChI	InChI=1S/C12H7F3O4/c13-12(14,15)19-8-3-1-7(2-4-8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)
InChI Key	KHCLEQZLFHIDBP-UHFFFAOYSA-N
MDL Number	MFCD02215949
Molecular Formula	C12H7F3O4
Molecular Weight	272.1768
SMILES	O=C(C1=CC=C(C2=CC=C(OC(F)(F)F)C=C2)O1)O
Synonyms	5-[4-(trifluoromethoxy)phenyl]furan-2-carboxylic acid, 638160-01-7, CBMicro_045554, AC1LIRXA, 5-[4-(trifluoromethoxy)phenyl]-2-Furancarboxylic acid, SCHEMBL5843366, KS-00000CYT, ZINC5997136, MFCD02215949, AKOS000289010, TRA0052071, CS-11894, SY032716, BIM-0045728.P001, FT-0723771, MFCD02215949 (95%), 5-(4-trifluoromethoxyphenyl)furan-2-carboxylic acid, 5-[4-(Trifluoromethoxy)phenyl]furan-2-carboxylicAcid, CID960725,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.03g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	272.179g/mol
Monoisotopic Mass	272.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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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