AG00IIAX

945003-38-3 | 3-Methoxy-4-(trifluoromethyl)benzaldehyde

AG00IIAX

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CAS Number	945003-38-3
Catalog Number	AG00IIAX(AGN-PC-0WAOV5)
Chemical Name	3-Methoxy-4-(trifluoromethyl)benzaldehyde
IUPAC Name	3-methoxy-4-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C9H7F3O2/c1-14-8-4-6(5-13)2-3-7(8)9(10,11)12/h2-5H,1H3
InChI Key	XIRCMFYUQKUYJZ-UHFFFAOYSA-N
MDL Number	MFCD11110997
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	COc1cc(C=O)ccc1C(F)(F)F
Synonyms	3-methoxy-4-(trifluoromethyl)benzaldehyde, 945003-38-3, MFCD11110997, SCHEMBL3571412, XIRCMFYUQKUYJZ-UHFFFAOYSA-N, ZINC91252083, AKOS015957223, FCH1402760, CS-12343, PC302098, SY046966, 3-methoxy-4-(trifluoromethyl)-benzaldehyde, Benzaldehyde, 3-methoxy-4-(trifluoromethyl)-, MFCD11110997 (97%),

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	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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