AG003DSV

224047-41-0 | 4-(4-Chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol

AG003DSV

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CAS Number	224047-41-0
Catalog Number	AG003DSV(AGN-PC-0QYZY6)
Chemical Name	4-(4-Chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol
IUPAC Name	4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
InChI	InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3
InChI Key	YULDTPKHZNKFEY-UHFFFAOYSA-N
MDL Number	MFCD08276319
Molecular Formula	C18H18ClN3O
Molecular Weight	327.8080
SMILES	CC(C(N1N=CN=C1)CC2=CC=C(Cl)C=C2)(O)C3=CC=CC=C3
Synonyms	brassinazole, Brassinazole, 224047-41-0, 4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, 1-[2-(4-Chlorophenyl)-1-(1-hydroxy-1-phenylethyl)ethyl]-1,2,4-triazole, CHEBI:73177, UNII-N9XRW3TF90, ACMC-1CBT1, N9XRW3TF90, CHEMBL132752, DTXSID1043708, SCHEMBL17275511, CTK8B3345, AOB3534, 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol, ANW-42344, MFCD08276319, AKOS027320938, RTR-010550, 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-methyl-alpha-phenyl-, KS-000012H1, NCGC00408854-01, AS-16756, CC-03609, DB-045901, TR-010550, B2829, FT-0644053, A816179, C-19907, J-014690, I14-106778, 4-(4-Chloro-phenyl)-2-phenyl-3-[1,2,4]triazol-1-yl-butan-2-ol, 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)-2-butanol, 1-[2-(4-Chlorophenyl)-1-(1-hydroxy-1-phenylethyl)ethyl]-1,2,4triazole, 3-(4-Chlorophenyl)-1-methyl-1-phenyl-2-(1,2,4-triazol-1-yl)-1-propanol, 1H-1,2,4-Triazole-1-ethanol,b-[(4-chlorophenyl)methyl]-a-methyl-a-phenyl-, Brassinazole, 95% - 10MG 10mg, 1-[2- -1- ETHYL]-1,2,4-TRIAZOLE, BRZ,

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.114g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	327.812g/mol
Monoisotopic Mass	327.114g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.9A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

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