AG001LOR

149427-58-7 | 1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)-

AG001LOR

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CAS Number	149427-58-7
Catalog Number	AG001LOR(AGN-PC-0HBUGL)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)-
IUPAC Name	4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
InChI	InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(5(11)12)10-2-3/h1-2,10H,(H,11,12)
InChI Key	FZLYSJNODQYBNZ-UHFFFAOYSA-N
MDL Number	MFCD13190112
Molecular Formula	C6H4F3NO2
Molecular Weight	179.0967
SMILES	O=C(C1=CC(C(F)(F)F)=CN1)O
Synonyms	4-(TRIFLUOROMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID, 149427-58-7, 1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)-, 4-trifluoromethyl-1H-pyrrole-2-carboxylic acid, SCHEMBL1970012, KS-00001AAY, FZLYSJNODQYBNZ-UHFFFAOYSA-N, MFCD13190112, ZINC82397623, AKOS022707997, FCH1145023, PB24125, AK165336, AS-34118, CS-0051131, FT-0701074, Q-4348,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.019g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.098g/mol
Monoisotopic Mass	179.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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