AG00D947

460746-47-8 | 4-(4-Hydroxy-3-iodophenyl)benzonitrile

AG00D947

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CAS Number	460746-47-8
Catalog Number	AG00D947(AGN-PC-0N355G)
Chemical Name	4-(4-Hydroxy-3-iodophenyl)benzonitrile
IUPAC Name	4-(4-hydroxy-3-iodophenyl)benzonitrile
InChI	InChI=1S/C13H8INO/c14-12-7-11(5-6-13(12)16)10-3-1-9(8-15)2-4-10/h1-7,16H
InChI Key	GGJLASJZXUIMAG-UHFFFAOYSA-N
MDL Number	MFCD06796628
Molecular Formula	C13H8INO
Molecular Weight	321.1132
SMILES	N#CC1=CC=C(C2=CC=C(O)C(I)=C2)C=C1
Synonyms	460746-47-8, 4'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile, 4'-Hydroxy-3'-iodo-[1,1'-biphenyl]-4-carbonitrile, 4-(4-hydroxy-3-iodophenyl)benzonitrile, 4'-hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile, 4-(4-hydroxy-3-iodo-phenyl)benzonitrile, C13H8INO, SCHEMBL2785702, CTK4I9145, KS-00000KWO, DTXSID90438712, GGJLASJZXUIMAG-UHFFFAOYSA-N, ZX-RL000586, 6338AB, MFCD06796628, ZINC12650830, AKOS015962778, AC-9294, AN-7169, SS-4452, AJ-63005, AK115262, OR303086, 3'-Iodo-4'-hydroxybiphenyl-4-carbonitrile, AB0078932, AX8038099, DB-070709, RT-019882, CS-0039208, FT-0714776, X-3219, 3'-Iodo-4'-hydroxy-1,1'-biphenyl-4-carbonitrile, 4'-hydroxy-3'-iodo-1,1'-biphenyl-4-carbonitrile, 4'-hydroxy-3'-iodo [1,1'-biphenyl]-4-carbonitrile, CID10358676, A12910,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	320.965g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	321.117g/mol
Monoisotopic Mass	320.965g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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