AG008S6P

120983-64-4 | prothioconazole-desthio

AG008S6P

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CAS Number	120983-64-4
Catalog Number	AG008S6P(AGN-PC-0PFCJP)
Chemical Name	prothioconazole-desthio
IUPAC Name	2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
InChI	InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
InChI Key	HHUQPWODPBDTLI-UHFFFAOYSA-N
MDL Number	MFCD11616777
Molecular Formula	C14H15Cl2N3O
Molecular Weight	312.1944
SMILES	ClC1(CC1)C(CC1=C(C=CC=C1)Cl)(CN1N=CN=C1)O
Synonyms	Prothioconazole-desthio, 120983-64-4, Pyrasulfotole metabolite (SXX 0665), 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol, 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, SXX 0665, Prothioconazole-desethio, AC1L3OO8, DSSTox_CID_24338, DSSTox_GSID_44338, SCHEMBL2491761, CHEMBL2288018, DTXSID3044338, HHUQPWODPBDTLI-UHFFFAOYSA-N, Tox21_303715, 1H-1,2,4-Triazole-1-ethanol, alpha-(1-chlorocyclopropyl)-alpha-((2-chlorophenyl)methyl)-, alpha-(1-Chlorocyclopropyl)-alpha-((2-chlorophenyl)methyl)-1H-1,2,4-triazole-1-ethanol, NCGC00357029-01, CAS-120983-64-4, Prothioconazole-desthio 10 microg/mL in Acetonitrile, 2-(1-chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)-propan-2-ol, 2-(1-chloro-cyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1yl)-propan-2-ol, C14H15Cl2N3O, UNII-Y3EX17303Q, Y3EX17303Q, C14-H15-Cl2-N3-O, CID119361, 1H-1,2,4-Triazole-1-ethanol, .alpha.-(1-chlorocyclopropyl)-.alpha.-[(2-chlorophenyl)methyl]-, |A-(1-Chlorocyclopropyl)-|A-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-1-ethanol, 2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL)-3- (1,2,4-TRIAZOL-1-YL)-PROPAN-2-OL, 2-(1-CHLOROCYCLOPROPYL)-1-(2-CHLOROPHENYL-3-(1, 2,4-TRIAZOL-1-YL)-PROPAN-2-OL, PROPAN-2-OL, 2-(1-CHLOROCYCLOPROPYL)-1- (2-CHLOROPHENYL)-3-(1,2,4-TRIAZOL-1-YL),

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.059g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.194g/mol
Monoisotopic Mass	311.059g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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