AG00HTC7

134521-16-7 | Benzonitrile, 4,4'-(hydroxymethylene)bis-

AG00HTC7

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CAS Number	134521-16-7
Catalog Number	AG00HTC7(AGN-PC-0N4X25)
Chemical Name	Benzonitrile, 4,4'-(hydroxymethylene)bis-
EC Number	603-830-7
IUPAC Name	4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
InChI	InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
InChI Key	JNJWXPZHWUOYRZ-UHFFFAOYSA-N
MDL Number	MFCD07367966
Molecular Formula	C15H10N2O
Molecular Weight	234.2527
SMILES	OC(C1=CC=C(C#N)C=C1)C2=CC=C(C#N)C=C2
UNII	3WEU2JKQ13
Synonyms	4,4'-methanol-bisbenzonitrile, 4,4'-methanolbisbenzonitrile, Bis(4-cyanophenyl)methanol, 134521-16-7, 4,4'-Dicyanobenzhydrol, Benzonitrile, 4,4'-(hydroxymethylene)bis-, Bis(p-cyanophenyl)methanol, UNII-3WEU2JKQ13, 4,4'-(HYDROXYMETHYLENE)DIBENZONITRILE, 3WEU2JKQ13, 4-[ALPHA-(4-CYANOPHENYL)HYDROXYMETHYL]BENZONITRILE, 4,4'-(Hydroxymethylene)bisbenzonitrile, AK-45421, 4-[(4-cyanophenyl)(hydroxy)methyl]benzonitrile, 4,4'-Methanolbisbenzonitrile, 4,4-Dicyanobenzhydrol, 4,4'-methanol-bisbenzonitrile, CGP 44 645, ACMC-20a2iv, 4, 4'-Dicyanobenzhydrol, 4-[(4-cyanophenyl)-hydroxy-methyl]benzonitrile, KSC498G2F, SCHEMBL691258, BEN738, Jsp002095, CTK3J8322, KS-00000MFN, DTXSID10440392, JNJWXPZHWUOYRZ-UHFFFAOYSA-N, ACT09354, BCP13807, ANW-54197, CGP 44645, MFCD07367966, ZINC21985090, AKOS015889814, AB31513, AC-1410, CARBINOL METABOLITE OF LETROZOLE, CS-W003371, DS-1565, 4,4'-(hydroxymethylene)bis benzonitrile, AJ-79306, AN-14971, BC207595, Benzonitrile,4,4'-(hydroxymethylene)bis-, BR-45421, CC-24731, CJ-17084, SC-26448, SY024455, AB0019769, AX8006221, DB-022665, RT-004516, ST2417865, 4CH-014665, FT-0643222, V0260, 4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile, MFCD07367966 (95%), 521B167, A806790, bis-(4-cyanophenyl)methanol (letrazole metabolite), C-13778, 4-[|A-(4-cyanophenyl)-hydroxymethyl]-benzonitrile, I01-2889, J-006549, 4-[(4-cyanophenyl)-oxidanyl-methyl]benzenecarbonitrile, 4-[A-(4-CYANOPHENYL)-HYDROXYMETHYL]-BENZONITRILE, 4,4 inverted exclamation mark -(Hydroxymethylene)dibenzonitrile, 4-[a-(4-cyanophenyl)-hydroxymethyl]-benzonitrile(forletrozole), 4-[|A-(4-cyanophenyl)-hydroxymethyl]-benzonitrile ( for letrozole ), Bis methanol, C15H10N2O, CGP-44645, ACN-025633, CID10466550, 4,4'-Dicyanobenzhydrol, 97% - 1G 1g, C2583, S-4404, C543441,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.079g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.258g/mol
Monoisotopic Mass	234.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number