AG003LML

50823-87-5 | 4-Methoxy-3-(trifluoromethyl)benzaldehyde

AG003LML

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CAS Number	50823-87-5
Catalog Number	AG003LML(AGN-PC-0KKWRC)
Chemical Name	4-Methoxy-3-(trifluoromethyl)benzaldehyde
IUPAC Name	4-methoxy-3-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H7F3O2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-5H,1H3
InChI Key	UMZQFCFPWAFMRL-UHFFFAOYSA-N
MDL Number	MFCD01091012
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	O=CC1=CC=C(OC)C(C(F)(F)F)=C1
Synonyms	4-Methoxy-3-(trifluoromethyl)benzaldehyde, 50823-87-5, 3-(trifluoromethyl)-4-methoxybenzaldehyde, MFCD01091012, PubChem4247, AC1MCQ4H, ACMC-1AQW0, SCHEMBL512997, 3-trifluoromethyl-p-anisaldehyde, CTK7A5794, DTXSID00379501, UMZQFCFPWAFMRL-UHFFFAOYSA-N, JRD-1843, KS-000010KN, ZINC2572881, SBB064681, AKOS005257705, 3-trifluoromethyl-4-methoxybenzaldehyde, 4-methoxy-3-trifluoromethylbenzaldehyde, AS05610, CM12004, PS-8147, VZ29313, AJ-42112, AK135963, SC-61409, DB-051849, TC-168742, FT-0639945, Benzaldehyde, 4-methoxy-3-(trifluoromethyl)-, I01-5437, 4-Methoxy-3-(trifluoromethyl)benzaldehyde, AldrichCPR, CID2775291,

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	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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