AG001XSY

168102-05-4 | 1H-Pyrrole-2-carboxylic acid, 3-fluoro-, ethyl ester

AG001XSY

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CAS Number	168102-05-4
Catalog Number	AG001XSY(AGN-PC-0MY1CJ)
Chemical Name	1H-Pyrrole-2-carboxylic acid, 3-fluoro-, ethyl ester
IUPAC Name	ethyl 3-fluoro-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C7H8FNO2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2H2,1H3
InChI Key	XKAWEJUJIOUTRS-UHFFFAOYSA-N
MDL Number	MFCD11042605
Molecular Formula	C7H8FNO2
Molecular Weight	157.1423
SMILES	FC1=C(NC=C1)C(=O)OCC
Synonyms	Ethyl 3-fluoro-1H-pyrrole-2-carboxylate, 168102-05-4, ETHYL 3-FLUOROPYRROLE-2-CARBOXYLATE, AK-72738, 1H-Pyrrole-2-carboxylic acid, 3-fluoro-, ethyl ester, 3-FLUORO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER, AMOT0140, SCHEMBL16236949, CTK8C2621, DTXSID70434813, XKAWEJUJIOUTRS-UHFFFAOYSA-N, BCP13623, 8581AA, ANW-68692, BBL103512, FCH886884, MFCD11042605, STL557322, ZINC45800829, AKOS006309937, CS-W004237, PB32900, KS-0000075U, AM806766, CJ-20543, DS-15235, SY016063, AJ-110542, AX8219320, ST2419336, TC-157437, 4CH-016084, MFCD11042605 (95%), Q-4357, 1H-Pyrrole-2-carboxylicacid,3-fluoro-,ethylester(9CI), C7H8FNO2, CID10057761, Ethyl 3-fluoro-1H-pyrrole-2-carboxylate, 97% - 1G 1g, 1H-Pyrrole-2-carboxylic acid, 3-fluoro-, ethyl ester (9CI),

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.144g/mol
Monoisotopic Mass	157.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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