AG003QCC

64224-59-5 | Ethyl 5-bromopyrimidine-4-carboxylate

AG003QCC

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CAS Number	64224-59-5
Catalog Number	AG003QCC(AGN-PC-039YNA)
Chemical Name	Ethyl 5-bromopyrimidine-4-carboxylate
IUPAC Name	ethyl 5-bromopyrimidine-4-carboxylate
InChI	InChI=1S/C7H7BrN2O2/c1-2-12-7(11)6-5(8)3-9-4-10-6/h3-4H,2H2,1H3
InChI Key	GHOKOMYFAWORIY-UHFFFAOYSA-N
MDL Number	MFCD16660482
Molecular Formula	C7H7BrN2O2
Molecular Weight	231.0467
SMILES	O=C(C1=NC=NC=C1Br)OCC
Synonyms	ethyl 5-bromopyrimidine-4-carboxylate, 64224-59-5, ETHYL 5-BROMO-4-PYRIMIDINECARBOXYLATE, 4-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester, Ethyl5-Bromo-4-pyrimidinecarboxylate, SCHEMBL11536944, DTXSID20612503, KS-00000BR0, 6791AJ, MFCD16660482, ZINC91692105, AKOS016846079, AB71475, TRA0058234, AK-41388, CJ-22651, DA-04804, DS-13839, EN002115, SY022729, AJ-131890, CS-0085178, FT-0766943, Z-3404, MFCD16660482 (97+%), C7H7BrN2O2, 351019-18-6,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.969g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.049g/mol
Monoisotopic Mass	229.969g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^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

Certificate of Analysis

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