AG00EBT2

58743-77-4 | 4-(4-Methoxyphenyl)benzonitrile

AG00EBT2

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CAS Number	58743-77-4
Catalog Number	AG00EBT2(AGN-PC-0JM0EF)
Chemical Name	4-(4-Methoxyphenyl)benzonitrile
EC Number	261-416-8
IUPAC Name	4-(4-methoxyphenyl)benzonitrile
InChI	InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3
InChI Key	RINYLKSNGRLNCU-UHFFFAOYSA-N
MDL Number	MFCD01003080
Molecular Formula	C14H11NO
Molecular Weight	209.2432
SMILES	N#CC1=CC=C(C2=CC=C(OC)C=C2)C=C1
Synonyms	58743-77-4, 4-(4-methoxyphenyl)benzonitrile, 4'-Methoxy-[1,1'-biphenyl]-4-carbonitrile, 4'-methoxybiphenyl-4-carbonitrile, Methoxycyanodiphenyl, 4'-Methoxy[1,1'-biphenyl]-4-carbonitrile, 4-Cyano-4'-methoxybiphenyl, BRN 2836376, EINECS 261-416-8, 4'-Methoxy-(1,1'-biphenyl)-4-carbonitrile, (1,1'-Biphenyl)-4-carbonitrile, 4'-methoxy-, [1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-, 4'-Methoxy(1,1'-biphenyl)-4-carbonitrile, 1OCB, AC1Q4RRD, ACMC-209m6u, AC1L3R3Z, SCHEMBL91929, 4'-cyano-4-methoxy-biphenyl, 4-cyano-4'-methoxy biphenyl, p-(4-methoxyphenyl)benzonitrile, DTXSID2069286, CTK5A8776, RINYLKSNGRLNCU-UHFFFAOYSA-, 4-(4-methoxyphenyl)ben-zonitrile, RINYLKSNGRLNCU-UHFFFAOYSA-N, ZINC1256742, 8713AB, ANW-33028, KM0235, MFCD01003080, STK068900, AKOS002683025, MCULE-1302874087, AJ-25207, AN-39719, CJ-04807, LS-44208, 4'-methoxy-1,1'-biphenyl-4-carbonitrile, TC-121773, BB 0223010, 4-Methoxy-[1,1'-biphenyl]-4'-carbonitrile, EN300-86160, [1,1'-Biphenyl]-4-carbonitrile,4'-methoxy-, 743M774, Z53835210, InChI=1/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3, C14H11NO, C14-H11-N-O, CID93892, AR-1G3168, 60-44-6,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.248g/mol
Monoisotopic Mass	209.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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