AG0036Y5

64169-67-1 | 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile

AG0036Y5

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CAS Number	64169-67-1
Catalog Number	AG0036Y5(AGN-PC-05YO91)
Chemical Name	1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
IUPAC Name	1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
InChI	InChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2
InChI Key	YXCRMKYHFFMNPT-UHFFFAOYSA-N
MDL Number	MFCD06200812
Molecular Formula	C15H10FNO
Molecular Weight	239.2444
SMILES	N#CC1=CC2=C(C(C3=CC=C(F)C=C3)OC2)C=C1
Synonyms	64169-67-1, 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-isobenzofuran-5-Carbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, AK-93044, 1- pound 4-fluorophenyl pound(c)-1,3-dihydro-isobenzofuran-5-Carbonitrile, J-503301, 5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran, 1-(4-Fluorophenyl)-1, 3-dihydro-isobenzofuran-5-carbonitrile, 1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile, 1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile, 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-, rac-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, 1-(4-Fluorophenyl)-5-cyanophthalan, PubChem7082, SCHEMBL1686, CTK8B8513, KS-00000HAX, DTXSID70431862, YXCRMKYHFFMNPT-UHFFFAOYSA-N, ANW-60535, CF-316, MFCD06200812, AKOS005065533, HF-0004, MCULE-3671391187, RP17862, VZ20950, AC-15825, AN-38878, CC-02255, I088, SC-06019, ST069374, AB0013475, AX8015762, DB-018582, LU 17-046, TL8004532, TX-011286, F0879, FT-0640931, ST24037366, M-1731, 169F671, A834661, C-14280, 1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARB, 1-(4-Fluorophenyl)-1,3-dihydroIsobenzofuran-5carbonitrile, 1-(4-Fluorophenyl)-1,3-dihyrosobenzofuran-5-carbonitrile, 1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, 1-(4-FLUOROPHENYL)-1.3-DIHYDRO-ISOBENZOFURAN-5-CARBONITRILE, C15H10FNO, CID9856159, CS-O-31216, 1- -1,3-dihydroisobenzofuran-5-carbonitile, 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitile, 1-(4-fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitrile, rac-1-(4-Fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile,

Complexity	342
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.075g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.249g/mol
Monoisotopic Mass	239.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number