AG005TZ7

96450-53-2 | 1-(2-Chloroethyl)-1H-pyrazole

AG005TZ7

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CAS Number	96450-53-2
Catalog Number	AG005TZ7(AGN-PC-0JU82W)
Chemical Name	1-(2-Chloroethyl)-1H-pyrazole
IUPAC Name	1-(2-chloroethyl)pyrazole
InChI	InChI=1S/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H2
InChI Key	HUZHIOQELFFZBM-UHFFFAOYSA-N
MDL Number	MFCD00173067
Molecular Formula	C5H7ClN2
Molecular Weight	130.5755
SMILES	ClCCN1N=CC=C1
Synonyms	1-(2-chloroethyl)-1H-pyrazole, 96450-53-2, 1-(2-chloroethyl)pyrazole, (2-chloroethyl)pyrazole, chloroethylpyrazole, AC1LD4J1, AC1Q3V4H, SCHEMBL464768, CTK5H8730, DTXSID80348992, HUZHIOQELFFZBM-UHFFFAOYSA-N, 1H-Pyrazole,1-(2-chloroethyl)-, 1H-pyrazole, 1-(2-chloroethyl)-, KS-000011OE, ZINC1393361, BBL028326, MFCD00173067, SBB022467, STK027544, AKOS000297999, MCULE-8682546249, RP09712, AJ-25539, ZB017066, AB1007480, TR-030149, 1-(2-chloroethyl)-1H-pyrazole, AldrichCPR, FT-0642326, ST45123406, X5413, EN300-52165, 1D-124, C-4076, W-204142, I14-28751, F1905-0030, InChI=1/C5H7ClN2/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5H, null, C5H7ClN2, 1- -1H-PYRAZOLE, (4-ethylpiperazin-1-yl)acetic acid, CID642214, ZINC01393361,

Complexity	67.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.03g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.575g/mol
Monoisotopic Mass	130.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H303+H313+H333-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P305+P351+P338
UN Code

Certificate of Analysis

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