AG002B0I

197774-66-6 | Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate

AG002B0I

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CAS Number	197774-66-6
Catalog Number	AG002B0I(AGN-PC-0JRQF0)
Chemical Name	Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate
IUPAC Name	ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate
InChI	InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-14-7-10(11)9-3-5-13-6-4-9/h3-8,14H,2H2,1H3
InChI Key	JPDVHPANJIDEHD-UHFFFAOYSA-N
MDL Number	MFCD08706465
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	O=C(OCC)C=2(C(C1(=CC=NC=C1))=CNC=2)
Synonyms	Ethyl 4-(pyridin-4-yl)-1H-pyrrole-3-carboxylate, 197774-66-6, Ethyl 4-pyridin-4-yl-1H-pyrrole-3-carboxylate, AK118735, AC1LA0Q8, CTK6F5704, KS-00000QWV, DTXSID60333063, ZINC5844705, MFCD08706465, AKOS016000272, DS-0967, MP-1428, ACM197774666, AJ-55018, CJ-12768, SC-30990, AB0068771, AX8242258, ST2419344, 4CH-012265, Z4366, E60042, ethyl 4-(4-pyridyl)-1H-pyrrole-3-carboxylate, 4-(4-Pyridyl)-1H-pyrrole-3-carboxylic acid ethyl ester, 4-Pyridin-4-yl-1H-pyrrole-3-carboxylic acid ethyl ester, 1H-Pyrrole-3-carboxylic acid, 4-(4-pyridinyl)-, ethyl ester, AIDS094426, C12H12N2O2, CID479474,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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