AG001GU5

141645-16-1 | Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-

AG001GU5

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CAS Number	141645-16-1
Catalog Number	AG001GU5(AGN-PC-009T7J)
Chemical Name	Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-
IUPAC Name	(2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
InChI	InChI=1S/C19H17NO5/c1-2-3-4-17-18(19(22)12-5-8-14(21)9-6-12)15-11-13(20(23)24)7-10-16(15)25-17/h5-11,21H,2-4H2,1H3
InChI Key	ZJZKLBXEGZKOBW-UHFFFAOYSA-N
MDL Number	MFCD14525622
Molecular Formula	C19H17NO5
Molecular Weight	339.3420
SMILES	O=C(C1=C(CCCC)OC2=CC=C([N+]([O-])=O)C=C12)C3=CC=C(O)C=C3
Synonyms	141645-16-1, (2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone, 2-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran, Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-, J-500680, 2-butyl-3-(4-hydroxybenzoyl)-5-nitro-benzofuran, SCHEMBL282873, MET047, CTK8B6199, DTXSID50467068, ZJZKLBXEGZKOBW-UHFFFAOYSA-N, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)Methanone, (2-butyl-5-nitro-benzofuran-3-yl)-(4-hydroxyphenyl)methanone, (2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone, BCP12789, CS-M0182, AN-574, ANW-52924, CB0015, CL4581, MFCD14525622, ZINC34577526, AKOS015901881, API0007647, RL01738, AC-25777, AJ-89448, AK-94299, AS-18906, SC-44238, AB0030919, AX8231646, DB-063392, TC-141669, FT-0686415, ST24020187, X3192, 2-Butyl-3-(4-hydroxybenzoyl)5-nitrobenzofuran, 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran, 645B161, 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitro benzofuran, (2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)m, 2-n-butyl-3-(4-hydroxy benzoyl)-5-nitro benzofuran, 2-n-butyl-3-(4-hydroxy-benzoyl)-5-nitro-benzofuran, I14-14008, 2-Butyl-5-nitrobenzofuran-3-yl(4-hydroxyphenyl)methanone, (2-butyl-5-nitro-1-benzofur-3-yl)-(4-hydroxyphenyl)methanon, (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxy-phenyl)methanone, (2-Butyl-5-nitro-benzofuran-3-yl)-(4-hydroxy-phenyl)-methanone, Dronedarone HCL intermediate, C19H17NO5, ACN-039984, CS-O-31692, CID11473234, EC 464-300-7, (2-Butyl-5-nitrobenzofuran-3-yl) (4-hydroxy phenyl) methanone, (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone, Methanone, (2-butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)-,

Complexity	483
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	339.111g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	339.347g/mol
Monoisotopic Mass	339.111g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	96.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H410
Packing Group	Ⅲ
Precautionary statements	P273-P391-P501
UN Code	UN 3077

Certificate of Analysis

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