AG003BMF

52490-15-0 | (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

AG003BMF

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CAS Number	52490-15-0
Catalog Number	AG003BMF(AGN-PC-0JM21T)
Chemical Name	(2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
EC Number	257-959-5
IUPAC Name	(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
InChI	InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChI Key	ZHGKQUXXASLVQQ-UHFFFAOYSA-N
MDL Number	MFCD00040947
Molecular Formula	C19H18O3
Molecular Weight	294.3444
NSC Number	85438
SMILES	O=C(C1=C(CCCC)OC2=CC=CC=C12)C3=CC=C(O)C=C3
UNII	7PK1H9HDST
Synonyms	52490-15-0, 2-Butyl-3-(4-hydroxybenzoyl)benzofuran, (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)methanone, UNII-7PK1H9HDST, (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone, 2-Butyl-3-(4-hydroxybenzoyl)-benzofuran, 7PK1H9HDST, Methanone, (2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-, CHEBI:79569, L-3372, ZHGKQUXXASLVQQ-UHFFFAOYSA-N, NSC85438, (2-Butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone, W-105818, (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone, (2-Butyl-benzofuran-3-yl)-(4-hydroxy-phenyl)-methanone, EINECS 257-959-5, Amiodarone Impurity E, PubChem7080, ACMC-209kzs, AC1L3WYO, ChemDiv3_001455, C15049, NCIOpen2_004928, Oprea1_408298, Oprea1_854919, (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone, AC1Q5D82, SCHEMBL1287970, CHEMBL1523279, BDBM18964, CTK4J5993, DTXSID40200486, HMS1477C03, ACT01879, ALBB-014278, BCP12498, ZINC1760380, ZX-AN013007, ANW-31478, MFCD00040947, NSC-85438, STK993691, AKOS000521104, AC-8754, AN-6760, MCULE-9717431932, TRA0085417, IDI1_020421, KS-000013R1, 2-Butyl-3-(4'-hydroxybenzoyl)benzofuran, AJ-31572, BAS 00532176, BC206199, CJ-29776, SC-05038, 2-Butyl-3-(4-Hydroxy Benzoyl)Benzofuran, 2-n-butyl-3-(4-hydroxybenzoyl)benzofuran, 2-n-butyl-3-(4'-hydroxybenzoyl)benzofuran, AB0106043, AX8009030, DB-020749, ST2402195, TC-120223, 2-butyl-3-(4-hydroxybenzoyl)-benzo[b]furan, 2-n-Butyl-3-(4-hydroxy-benzoyl)-benzofuran, 4-(2-butyl-1-benzofuran-3-carbonyl)phenol, B3339, FT-0602488, R1693, UNM000011033701, 2-Butyl-3-benzofuranyl p-hydroxyphenyl ketone, 2-N-Butyl-3-(4-hydroxybenzoyl)benzo[B]furan, L 3372, 4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol, 490B150, C-18459, (2-buty-lbenzofuran-3-yl)(4-hydroxyphenyl)meth anone, (2-butylbenzofuran-3-yl)-(4-hydroxyphenyl)methanone, BRD-K31030218-001-01-1, Methanone,(2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-, (2-Butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)-methanone, (2-Butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone #, Amidodarone HCl impurity E, 2-Butyl-3-(4-hydroxylbenzonyl)benzofuran, KST-1A5477, CID96670, AR-1A2183, C19-H18-O3, CS-O-07162, 2-Butyl-3-(4-hydroxybenzoyl) benzofuran, 5345-21-1,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	294.126g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	294.35g/mol
Monoisotopic Mass	294.126g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H312-H332-H411
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 3077

Certificate of Analysis

Lot Number