AG000XW0

128225-66-1 | 1-Methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

AG000XW0

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CAS Number	128225-66-1
Catalog Number	AG000XW0(AGN-PC-09Q62L)
Chemical Name	1-Methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
IUPAC Name	1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI	InChI=1S/C6H5F3N2O/c1-11-2-4(3-12)5(10-11)6(7,8)9/h2-3H,1H3
InChI Key	QNEXGLZIJJETOO-UHFFFAOYSA-N
MDL Number	MFCD09991529
Molecular Formula	C6H5F3N2O
Molecular Weight	178.1119
SMILES	O=CC1=CN(C)N=C1C(F)(F)F
Synonyms	1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 128225-66-1, 4-FORMYL-3-(TRIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE, 1-Methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde, PubChem16984, PubChem16985, SCHEMBL2286350, CTK4A6512, QNEXGLZIJJETOO-UHFFFAOYSA-N, ANW-47689, MFCD09991529, STL415442, ZINC44831892, AKOS006311960, MCULE-2152106278, AC-27609, BR-55687, AB0035395, AJ-110200, TC-136434, A2155, ST24027123, X9723, C-2106, I11-0567, J-002284, 1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde, 1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxaldehyde, 1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-(trifluoromethyl)-, C6H5F3N2O, 1094484-55-5, 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde, 1-methyl-3-(trifluoromethyl)-1H-Pyrazole-4-carboxaldehyde, 1H-Pyrazole-4-carboxaldehyde,3-(difluoromethyl)-1-methyl-, 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXALDEHYDE, 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde, 97% - 1G 1g,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.114g/mol
Monoisotopic Mass	178.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

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