AG002MH6

231953-40-5 | 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane

AG002MH6

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CAS Number	231953-40-5
Catalog Number	AG002MH6(AGN-PC-0JVO0V)
Chemical Name	1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
IUPAC Name	1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane
InChI	InChI=1S/C11H13ClF3N3/c12-9-6-8(11(13,14)15)7-17-10(9)18-4-1-2-16-3-5-18/h6-7,16H,1-5H2
InChI Key	PKKLERQDFWUWNM-UHFFFAOYSA-N
MDL Number	MFCD00238856
Molecular Formula	C11H13ClF3N3
Molecular Weight	279.6892
SMILES	FC(C1=CC(Cl)=C(N2CCNCCC2)N=C1)(F)F
Synonyms	231953-40-5, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane, 1-[3-Chloro-5-(Trifluoromethyl)-2-Pyridyl]-1,4-Diazepane, 1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]homopiperazine, 1-(3-Chloro-5-trifluoromethyl-2-pyridyl)homopiperazine, MFCD00238856, 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, EN300-14691, W-206818, 1-(3-chloro-5-trifluoromethyl-2-pyridyl)-1,4-diazepane, AC1LEGJ8, AC1Q4JEM, ACMC-20ap02, AC1Q4IW7, C11H13ClF3N3, SCHEMBL2009112, CTK4F1069, KS-00001KMY, DTXSID00352814, PKKLERQDFWUWNM-UHFFFAOYSA-N, ZINC6083835, ZX-AP000698, PC0916, STL447180, AKOS000264205, MCULE-3323065018, PS-6338, RP06614, VP70188, SEL14934169, ACM231953405, AJ-74716, CC-03648, AX8013158, DB-046101, RT-005999, FT-0607124, ST50407585, Y8366, A816619, C-17598, I14-61942, 1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane, 1-(3-CHLORO-5-TRIFLUOROMETHYL-2-PYRIDYL) HOMOPIPERAZINE, 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazaperhydroepine, 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane, AldrichCPR, 1H-1,4-Diazepine,1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-, A5K, CID735734,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.075g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.691g/mol
Monoisotopic Mass	279.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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