AG003B7Q

56177-80-1 | 2-Ethoxy-5-fluoropyrimidin-4(3H)-one

AG003B7Q

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CAS Number	56177-80-1
Catalog Number	AG003B7Q(AGN-PC-0JLZHD)
Chemical Name	2-Ethoxy-5-fluoropyrimidin-4(3H)-one
EC Number	260-029-1
IUPAC Name	2-ethoxy-5-fluoro-1H-pyrimidin-6-one
InChI	InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
InChI Key	XREDGJFKPWBNRQ-UHFFFAOYSA-N
MDL Number	MFCD03265436
Molecular Formula	C6H7FN2O2
Molecular Weight	158.1304
SMILES	O=C1NC(OCC)=NC=C1F
UNII	15FS54053U
Synonyms	56177-80-1, 2-Ethoxy-5-fluorouracil, 2-Ethoxy-5-fluoro-1H-pyrimidin-4-one, 2-Ethoxy-5-fluoropyrimidin-4(3H)-one, 2-Ethoxy-5-fluoro-4(3H)-pyrimidinone, 2-Ethoxy-5-fluoro-4-pyrimidinone, 2-ethoxy-5-fluoropyrimidin-4-ol, UNII-15FS54053U, 5-Fluoro-2-ethoxy-4-pyrimidinone, 2-ETHOXY-5-FLUORO-4-HYDROXYPYRIMIDINE, 5-Fluoro-2-ethoxy-4(1H)pyrimidinone, 2-ethoxy-5-fluoro-1H-pyrimidin-6-one, 15FS54053U, EINECS 260-029-1, ACMC-20anww, Fluorouracil Impurity F, AC1Q4HLX, ACMC-209lr4, AC1L3NB4, DSSTox_CID_31565, DSSTox_RID_97450, DSSTox_GSID_57776, KSC494S8J, CHEMBL3560726, DTXSID8057776, CTK3J4984, CTK6G3431, KS-000010QL, Tox21_113748, ANW-32462, CE-130, MFCD03265436, SBB087271, ZINC14982788, AKOS006222274, AKOS015838992, AKOS015892540, LS40588, VZ24498, 2-Ethoxy-5-fluoro-4(1H)-pyrimidinone, 2-ethoxy-5-fluoropyrimidin-4(1H)-one, NCGC00253618-01, AC-24736, AJ-65732, AN-40187, AS-15513, CJ-14712, HC210057, P674, 2-ethoxy-5-fluoranyl-1H-pyrimidin-6-one, 2-ETHOXY-5-FLUORO-PYRIMIDIN-4-OL, AB0084704, AB1010880, CAS-56177-80-1, DB-021016, ST2416848, E0684, FT-0640361, 5-Fluoro-2-ethoxy-4(1H)pyrimidinone, 97%, 2-ethoxy-5-fluoro-1,4-dihydropyrimidin-4-one, 77E801, M-3054, X-1757, 177E801, 177F801, A830943, I03-0101, W-105528, 2-Ethoxy-5-fluoropyrimidin-4(1H)-one (2-Ethoxy-5-fluorouracil), Fluorouracil impurity F, European Pharmacopoeia (EP) Reference Standard, Fluorouracil Related Compound F, United States Pharmacopeia (USP) Reference Standard, 2-Ethoxyl-5-fluorouracil, C6H7FN2O2, C6-H7-F-N2-O2, CID92041, AR-1E1295, ZINC02507122, 5-Fluoro-2-ethoxy-4-pyrimidinone, 98% - 25G 25g, 57716-91-3,

Complexity	235
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	2
Topological Polar Surface Area	50.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H412
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

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