AG000C54

116308-35-1 | 2-(Trifluoromethyl)nicotinaldehyde

AG000C54

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CAS Number	116308-35-1
Catalog Number	AG000C54(AGN-PC-002GHJ)
Chemical Name	2-(Trifluoromethyl)nicotinaldehyde
IUPAC Name	2-(trifluoromethyl)pyridine-3-carbaldehyde
InChI	InChI=1S/C7H4F3NO/c8-7(9,10)6-5(4-12)2-1-3-11-6/h1-4H
InChI Key	COMFXXABDQGVSV-UHFFFAOYSA-N
MDL Number	MFCD08234912
Molecular Formula	C7H4F3NO
Molecular Weight	175.1080
SMILES	FC(C1=C(C=O)C=CC=N1)(F)F
Synonyms	2-(TRIFLUOROMETHYL)NICOTINALDEHYDE, 116308-35-1, 2-(trifluoromethyl)pyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde,2-(trifluoromethyl)-, 2-(Trifluoromethyl)pyridine-3-carboxaldehyde, 3-Pyridinecarboxaldehyde, 2-(trifluoromethyl)-, ACMC-20mm6r, SCHEMBL2514186, CTK4A9733, KS-00000MHY, DTXSID50563716, COMFXXABDQGVSV-UHFFFAOYSA-N, BCP10415, MFCD08234912, SBB089002, ZINC16158965, AKOS016845859, AB43691, DS-4949, 2-trifluoromethylpyridine-3-carbaldehyde, AC-29146, AJ-68605, AK135314, AN-33112, SC-28825, DB-000123, ST2409431, 2-(trifluoromethyl)-3-pyridinecarboxaldehyde, 4CH-002842, AM20050689, FT-0688629, 3-Pyridinecarboxaldehyde, 2-(trifluoromethyl), 2-TRIFLUOROMETHYL-PYRIDINE-3-CARBALDEHYDE, 308T351, A803592, ACN-028036,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	175.11g/mol
Monoisotopic Mass	175.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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