AG00D14G

33235-31-3 | ETHYL 4-FLUORO-1H-IMIDAZOLE-5-CARBOXYLATE

AG00D14G

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CAS Number	33235-31-3
Catalog Number	AG00D14G(AGN-PC-0JT4Y9)
Chemical Name	ETHYL 4-FLUORO-1H-IMIDAZOLE-5-CARBOXYLATE
IUPAC Name	ethyl 5-fluoro-1H-imidazole-4-carboxylate
InChI	InChI=1S/C6H7FN2O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2H2,1H3,(H,8,9)
InChI Key	IHNTZQIMEWDJOZ-UHFFFAOYSA-N
MDL Number	MFCD21333183
Molecular Formula	C6H7FN2O2
Molecular Weight	158.1304
SMILES	O=C(C1=C(F)NC=N1)OCC
Synonyms	33235-31-3, ethyl 5-fluoro-1H-imidazole-4-carboxylate, Ethyl 4-fluoro-1H-imidazole-5-carboxylate, 5-fluoro-1H-Imidazole-4-carboxylic acid ethyl ester, IHNTZQIMEWDJOZ-UHFFFAOYSA-N, Ethyl 4-fluoroimidazole-5-carboxylate, Ethyl 5-fluoro-3H-imidazole-4-carboxylate, 1H-Imidazole-4-carboxylic acid, 5-fluoro-, ethyl ester, AC1LCCU9, 5-Fluoroimidazole-4-carboxylic acid, ethyl ester, SCHEMBL3023145, CTK6F7507, MFCD21333183, ZINC32136252, 4-Fluoro-5-imidazolic acid, ethyl ester, AS-48377, CS-0060725, 4-Fluoro-5-imidazole-carboxylic acid, ethyl ester, Imidazole-4-carboxylic acid, 5-fluoro-, ethyl ester, CID574526,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.049g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.132g/mol
Monoisotopic Mass	158.049g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number