AG003CTP

77200-24-9 | 1-(2-Chloroethyl)-1H-pyrrole

AG003CTP

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CAS Number	77200-24-9
Catalog Number	AG003CTP(AGN-PC-0NJUFH)
Chemical Name	1-(2-Chloroethyl)-1H-pyrrole
IUPAC Name	1-(2-chloroethyl)pyrrole
InChI	InChI=1S/C6H8ClN/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2
InChI Key	CZYATLREQUGMIQ-UHFFFAOYSA-N
MDL Number	MFCD00191330
Molecular Formula	C6H8ClN
Molecular Weight	129.5874
SMILES	ClCCN1C=CC=C1
Synonyms	1-(2-Chloroethyl)pyrrole, 77200-24-9, 1-(2-Chloroethyl)-1H-Pyrrole, 1-(2-CHLOROETHYL)-PYRROLE, 1-(2-chloroethyl)azole, ACMC-209p8h, AC1Q3V4F, AC1Q3V4G, 2-pyrrol-1-yl-chloroethane, SCHEMBL536275, DTXSID20506458, CZYATLREQUGMIQ-UHFFFAOYSA-N, ZINC2556780, ANW-36975, FCH917727, MFCD00191330, AKOS006230393, CC-1310, QC-3354, AJ-39981, AS-30066, DA-17481, AX8049977, TR-024680, FT-0690609, X4634, C6H8ClN, 1- PYRROLE, c1347,

Complexity	59.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.035g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	129.587g/mol
Monoisotopic Mass	129.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	4.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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