AG001GPU

141627-42-1 | Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-

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CAS Number	141627-42-1
Catalog Number	AG001GPU(AGN-PC-03RSNK)
Chemical Name	Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-
IUPAC Name	(2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
InChI	InChI=1S/C20H19NO5/c1-3-4-5-18-19(20(22)13-6-9-15(25-2)10-7-13)16-12-14(21(23)24)8-11-17(16)26-18/h6-12H,3-5H2,1-2H3
InChI Key	WYALRXZJYXWYGR-UHFFFAOYSA-N
MDL Number	MFCD14525623
Molecular Formula	C20H19NO5
Molecular Weight	353.3686
SMILES	C(CCC)C=1OC2=C(C1C(C1=CC=C(C=C1)OC)=O)C=C(C=C2)[N+](=O)[O-]
Synonyms	141627-42-1, (2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone, 2-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran, AK-94300, Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-, SCHEMBL283212, SCHEMBL422204, CTK8B6198, DTXSID90626718, WYALRXZJYXWYGR-UHFFFAOYSA-N, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)Methanone, ACT08508, BCP14016, CS-M0181, ANW-52923, CB0016, CL4580, MFCD14525623, ZINC44857472, AKOS015901847, QC-8893, AC-25776, DS-17943, SC-96046, AB0030918, AJ-110216, AX8231647, DB-063389, TC-141668, FT-0686414, ST24020186, X3191, 2-n-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran, 627B421, 2-(n-Butyl)-3-(4-methoxybenzoyl)-5-nitrobenzofuran, 2-n-butyl 3-(4-methoxy benzoyl) 5-nitro benzofuran, 2-n-butyl-3-(4-methoxy-benzoyl)-5-nitro-benzofuran, I14-14006, 2-Butyl-5-nitrobenzofuran-3-yl(4-methoxyphenyl)methanone, (2-Butyl-5-nitro-1-benzofuran-3-yl)(4-methoxyphenyl)methanone, (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone, (2-Butyl-5-nitro-benzofuran-3-yl)-(4-methoxy-phenyl)-methanone, C20H19NO5, ACN-S002205,

Complexity	497
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	353.126g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	353.374g/mol
Monoisotopic Mass	353.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	85.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number