AG00I9FE

52709-87-2 | [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-

AG00I9FE

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CAS Number	52709-87-2
Catalog Number	AG00I9FE(AGN-PC-0JLE8P)
Chemical Name	[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-
EC Number	258-123-2
IUPAC Name	4-(4-butoxyphenyl)benzonitrile
InChI	InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
InChI Key	KPQVQWUNELODQE-UHFFFAOYSA-N
MDL Number	MFCD00183755
Molecular Formula	C17H17NO
Molecular Weight	251.3230
SMILES	N#CC1=CC=C(C2=CC=C(OCCCC)C=C2)C=C1
Synonyms	52709-87-2, 4'-Butoxy-[1,1'-biphenyl]-4-carbonitrile, 4-Butoxy-4'-cyanobiphenyl, 4OCB, 4-Butoxycyanodiphenyl, 4-Butoxy-[1,1'-biphenyl]-4'-carbonitrile, 4-(4-butoxyphenyl)benzonitrile, [1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-, 4'-butoxybiphenyl-4-carbonitrile, 4-Cyano-4'-butoxybiphenyl, EINECS 258-123-2, BRN 2731691, 4'-BUTOXY-BIPHENYL-4-CARBONITRILE, 4'-n-Butyloxy-4-cyanobiphenyl, 4'-Butoxy-(1,1'-biphenyl)-4-carbonitrile, (1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-, 4'-Butoxy-4-biphenylcarbonitrile, AK129896, 4'-Butoxy(1,1'-biphenyl)-4-carbonitrile, 4'-Butoxy[1,1'-biphenyl]-4-carbonitrile, 4'-(N-Butoxy)-4-cyanobiphenyl, PubChem2522, AC1L2WHR, AC1Q4RRH, 4-Cyano-4'-n-butoxybiphenyl, SCHEMBL8939343, DTXSID0068789, CTK4J6333, KS-00000JGH, KPQVQWUNELODQE-UHFFFAOYSA-N, 4'-Butyloxy-4-biphenylcarbonitrile, ZINC2493562, ZX-AT016842, CB-139, CCG-47025, MFCD00183755, SBB067575, 4-(4-butoxyphenyl)benzenecarbonitrile, AKOS001483273, DS-6476, FR-2518, MCULE-7793074667, RL03947, VZ35300, ACM52709872, AJ-35951, AN-40901, LS-44192, SC-89940, AX8021233, B4300, FT-0659719, [1,1'-Biphenyl]-4-carbonitrile,4'-butoxy-, 4'-Butoxy[1,1'-biphenyl]-4-carbonitrile #, 709B872, SR-01000389340, J-514848, SR-01000389340-1, SR-01000389340-2, F0266-0246, 4-Cyano-4'-butyloxybiphenyl, C17H17NO, 4-Butyloxy-4'-biphenylcarbonitrile, C17-H17-N-O, AR-1G1366, CID104292, 4-Butoxy-4'-cyanobiphenyl, 98% - 25G 25g, 53817-59-7,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.131g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.329g/mol
Monoisotopic Mass	251.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number