AG00158V

1215310-75-0 | Benzaldehyde, 4-(methylsulfonyl)-2-(trifluoromethyl)-

AG00158V

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CAS Number	1215310-75-0
Catalog Number	AG00158V(AGN-PC-0WAME7)
Chemical Name	Benzaldehyde, 4-(methylsulfonyl)-2-(trifluoromethyl)-
EC Number	812-681-9
IUPAC Name	4-methylsulfonyl-2-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H7F3O3S/c1-16(14,15)7-3-2-6(5-13)8(4-7)9(10,11)12/h2-5H,1H3
InChI Key	KKZHDYBLTHETMS-UHFFFAOYSA-N
MDL Number	MFCD15479075
Molecular Formula	C9H7F3O3S
Molecular Weight	252.2103
SMILES	FC(F)(F)C1=CC(S(=O)(C)=O)=CC=C1C=O
Synonyms	1215310-75-0, 2-Formyl-5-(methylsulphonyl)benzotrifluoride, 4-(Methylsulfonyl)-2-(trifluoromethyl)benzaldehyde, AK186435, 4-methanesulfonyl-2-(trifluoromethyl)benzaldehyde, MFCD15479075, 2-Formyl-5-(methylsulphonyl)benzotrifluoride, 4-Formyl-3-(trifluoromethyl)phenyl methyl sulphone, SCHEMBL1190513, KKZHDYBLTHETMS-UHFFFAOYSA-N, ZX-AP002282, ZINC71790004, AKOS025404073, PC01643, PS-7458, CS-0041427, 4-methanesulfonyl-2-trifluoromethyl-benzaldehyde, 4-Formyl-3-(trifluoromethyl)phenyl methyl sulphone, Benzaldehyde, 4-(methylsulfonyl)-2-(trifluoromethyl)-,

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.007g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.207g/mol
Monoisotopic Mass	252.007g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.6A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number