AG008FFS

85386-14-7 | Ethyl 2-phenylpyrimidine-5-carboxylate

AG008FFS

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CAS Number	85386-14-7
Catalog Number	AG008FFS(AGN-PC-0N5AMJ)
Chemical Name	Ethyl 2-phenylpyrimidine-5-carboxylate
IUPAC Name	ethyl 2-phenylpyrimidine-5-carboxylate
InChI	InChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-14-12(15-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key	ADXNMWBLJLAMNG-UHFFFAOYSA-N
MDL Number	MFCD09863207
Molecular Formula	C13H12N2O2
Molecular Weight	228.2466
SMILES	O=C(C1=CN=C(C2=CC=CC=C2)N=C1)OCC
Synonyms	Ethyl 2-phenylpyrimidine-5-carboxylate, 85386-14-7, ethylphenylpyrimidinecarboxylate, SCHEMBL8546622, 2-phenyl-5-carbethoxypyrimidine, CTK5F4824, KS-00000HZR, DTXSID70440772, ADXNMWBLJLAMNG-UHFFFAOYSA-N, 3246AC, ANW-52740, CE-073, ethyl2-phenylpyrimidine-5-carboxylate, MFCD09863207, ZINC38953297, AKOS005146381, HP21888, ME-0702, RP13150, AJ-97215, AK-50920, SC-28360, DB-026563, TC-061887, AM20041245, FT-0682726, ST24030533, 2-Phenylpyrimidine-5-carboxylic acid ethyl ester, J-520789, I14-10425, C13H12N2O2, CID10489528, A15849,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.09g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.251g/mol
Monoisotopic Mass	228.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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