AG00C631

3236-66-6 | 1-(2-Chloroethyl)-1H-1,2,4-triazole

AG00C631

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CAS Number	3236-66-6
Catalog Number	AG00C631(AGN-PC-0LFXE5)
Chemical Name	1-(2-Chloroethyl)-1H-1,2,4-triazole
IUPAC Name	1-(2-chloroethyl)-1,2,4-triazole
InChI	InChI=1S/C4H6ClN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
InChI Key	UBSIYQGXRKNEJP-UHFFFAOYSA-N
MDL Number	MFCD03727263
Molecular Formula	C4H6ClN3
Molecular Weight	131.5635
SMILES	ClCCN1C=NC=N1
Synonyms	1-(2-chloroethyl)-1H-1,2,4-triazole, 3236-66-6, 1-(2-chloroethyl)-1,2,4-triazole, AC1NFQAM, AC1Q3V4I, SCHEMBL647790, CTK8B8163, DTXSID30405706, UBSIYQGXRKNEJP-UHFFFAOYSA-N, ACT04131, ALBB-022257, ANW-59491, MFCD03727263, ZINC19089269, AKOS009293198, AC-5235, AJ-71153, AN-11193, AS-31305, 1H-1,2,4-Triazole,1-(2-chloroethyl)-, AB0071795, DB-005582, TC-030299, 1H-1,2,4-Triazole, 1-(2-chloroethyl)-, FT-0600151, 1-(2-Chloroethyl)-1h-[1,2,4]TRIAZOLE, Y-0808, 1H-1,2,4-TRIAZOLE, 1-(2-CHLOROETHYL), 236C666, 1H-1,2,4-triazole, 1-(2-chloroethyl)-, hydrochloride, CID4712275, trans-2,3-Dibromo-2-butene-1,4-diol, (E)-2,3-Dibromo-2-butene-1,4-diol, 1-(1H-1,2,4-triazol-5-yl)ethanamine, C2794,

Complexity	68.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.025g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.563g/mol
Monoisotopic Mass	131.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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