AG0029Z2

20526-97-0 | 1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-

AG0029Z2

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CAS Number	20526-97-0
Catalog Number	AG0029Z2(AGN-PC-0JLXZS)
Chemical Name	1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-
EC Number	243-862-5
IUPAC Name	(3Z)-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
InChI	InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
InChI Key	OHRFHJYUEWVXBD-ZROIWOOFSA-N
MDL Number	MFCD02683417
Molecular Formula	C15H9ClO2
Molecular Weight	256.6838
SMILES	O=C1O/C(C2=C1C=CC=C2)=C\\C3=CC=C(Cl)C=C3
UNII	F9B1HR45M3
Synonyms	3-(4-Chlorobenzal)phthalide, 20526-97-0, 3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one, UNII-F9B1HR45M3, 3-(4-Chlorobenzal)phthalide, (Z)-, CHEMBL304786, F9B1HR45M3, 105279-16-1, 3-(4-chlorobenzylidene)phthalide, (Z)-3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one, (3Z)-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3-((4-chlorophenyl)methylene)-, (3Z)-, 1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-, (3Z)-, AK146056, Azelastine hydrochloride impurity E, (Z)-, AC1O6XQW, SCHEMBL9764603, 3-(p-Chlorobenzylidene)phthalide, DTXSID00147045, ZINC5934675, BDBM50441019, MFCD02683417, DS-8454, AJ-55256, AX8096287, 4CH-022448, C3448, J-013385, J-515143, 3-[(4-Chlorophenyl)methylene]-1(3H)-isobenzofuranone, (3Z)-3-[(4-chlorophenyl)methylene]isobenzofuran-1-one, UNII-L0K2E542PL component OHRFHJYUEWVXBD-ZROIWOOFSA-N, Azelastine EP Impurity E, C15H9ClO2, UNII-L0K2E542PL, C15-H9-Cl-O2, EINECS 243-862-5, 4-CHLOROBENZYLIDENE PHTHALIDE, CID6538043, 3-((4-Chlorophenyl)methylene)phthalide, 3-[(4-chlorophenyl)methylene]phthalide, 1(3H)-Isobenzofuranone, 3-((4-chlorophenyl)methylene)-,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	256.029g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.685g/mol
Monoisotopic Mass	256.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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