AG00IE4Z

865998-45-4 | Ethyl 1-benzyl-1h-imidazole-2-carboxylate

AG00IE4Z

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CAS Number	865998-45-4
Catalog Number	AG00IE4Z(AGN-PC-05TQ0P)
Chemical Name	Ethyl 1-benzyl-1h-imidazole-2-carboxylate
IUPAC Name	ethyl 1-benzylimidazole-2-carboxylate
InChI	InChI=1S/C13H14N2O2/c1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChI Key	IKHCKQVOPBTOEG-UHFFFAOYSA-N
MDL Number	MFCD11857953
Molecular Formula	C13H14N2O2
Molecular Weight	230.2625
SMILES	CCOC(C1N(CC2=CC=CC=C2)C=CN=1)=O
Synonyms	ethyl 1-benzyl-1H-imidazole-2-carboxylate, 865998-45-4, Ethyl 1-benzylimidazole-2-carboxylate, AC1Q34DP, SCHEMBL1593910, CTK6F7587, DTXSID90653842, IKHCKQVOPBTOEG-UHFFFAOYSA-N, ANW-59041, MFCD11857953, ZINC32625178, AKOS016002116, MCULE-3158419271, NE20721, AC-27130, AJ-85406, CS-11302, SY014808, DB-023562, RT-012517, FT-0728116, X6584, EN300-42762, MFCD11857953 (95%), Z1245537831, C13H14N2O2,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.106g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.267g/mol
Monoisotopic Mass	230.106g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number