AG00IIA6

944905-42-4 | 5-Methoxy-2-(trifluoromethyl)benzaldehyde

AG00IIA6

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CAS Number	944905-42-4
Catalog Number	AG00IIA6(AGN-PC-0BSJCC)
Chemical Name	5-Methoxy-2-(trifluoromethyl)benzaldehyde
IUPAC Name	5-methoxy-2-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H7F3O2/c1-14-7-2-3-8(9(10,11)12)6(4-7)5-13/h2-5H,1H3
InChI Key	QFKMLBPPJRRDBX-UHFFFAOYSA-N
MDL Number	MFCD10696315
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	O=CC1=CC(OC)=CC=C1C(F)(F)F
Synonyms	5-METHOXY-2-(TRIFLUOROMETHYL)BENZALDEHYDE, 944905-42-4, CTK7H9030, DTXSID00724471, CL9056, MFCD10696315, ZINC91252080, AB57030, AS05611, CM12005, FCH1400910, AS-46188, AJ-129221, AX8291187,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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