AG003B95

886498-85-7 | 2-Methyl-5-(trifluoromethyl)benzaldehyde

AG003B95

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CAS Number	886498-85-7
Catalog Number	AG003B95(AGN-PC-0VMZ4Z)
Chemical Name	2-Methyl-5-(trifluoromethyl)benzaldehyde
IUPAC Name	2-methyl-5-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H7F3O/c1-6-2-3-8(9(10,11)12)4-7(6)5-13/h2-5H,1H3
InChI Key	XFIZZVVBLXLTOD-UHFFFAOYSA-N
MDL Number	MFCD06660200
Molecular Formula	C9H7F3O
Molecular Weight	188.1465
SMILES	O=CC1=CC(C(F)(F)F)=CC=C1C
Synonyms	2-Methyl-5-(trifluoromethyl)benzaldehyde, 886498-85-7, 2-METHYL-5-TRIFLUOROMETHYLBENZALDEHYDE, MFCD06660200, KSC496M3P, SCHEMBL11405670, CTK3J6637, DTXSID50590688, JRD-1725, 4529AC, ANW-44067, BBL100866, CL8292, SBB090713, STL554660, ZINC37594115, AKOS005255722, KS-000011J7, AJ-94114, AS-46011, CJ-19068, AB0064106, RT-003140, FT-0684424, ST24022330, Y-9785, I01-13667, C9H7F3O, ACN-056162,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.149g/mol
Monoisotopic Mass	188.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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