AG00D864

54368-61-5 | Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate

AG00D864

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CAS Number	54368-61-5
Catalog Number	AG00D864(AGN-PC-0KKOD6)
Chemical Name	Ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
IUPAC Name	ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate
InChI	InChI=1S/C7H5Cl2N3O4/c1-2-16-6(13)3-4(12(14)15)5(8)11-7(9)10-3/h2H2,1H3
InChI Key	CXMOEGSGXAUCNZ-UHFFFAOYSA-N
MDL Number	MFCD00831638
Molecular Formula	C7H5Cl2N3O4
Molecular Weight	266.0383
SMILES	CCOC(=O)C1=C(C(Cl)=NC(Cl)=N1)[N+]([O-])=O
Synonyms	ethyl 2,6-dichloro-5-nitropyrimidine-4-carboxylate, 54368-61-5, AK-37591, 2,6-Dichloro-4-(ethoxycarbonyl)-5-nitropyrimidine, ethyl 2,6-dichloro-5-nitro-pyrimidine-4-carboxylate, Ethyl2,6-dichloro-5-nitropyrimidine-4-carboxylate, AC1MC41T, C7H5Cl2N3O4, SCHEMBL58060, CTK5A0683, DTXSID20375500, CXMOEGSGXAUCNZ-UHFFFAOYSA-N, ACT04136, ZINC1529120, ZX-AT004287, ANW-56068, BBL102653, MFCD00831638, OR7888, STL556457, AKOS005264367, AC-5238, CS-W006419, GS-5664, QC-5884, RTC-030830, KS-0000264L, AJ-26563, AN-11196, CJ-05158, CJ-23848, SC-82547, AB0039229, AX8161103, DB-007469, TC-030830, 4CH-001583, BB 0261174, FT-0752730, ST24046763, Y6661, 2,4-dichloro-6-ethoxycarbonyl-5-nitropyrimidine, Ethyl 2,6-dichloro-5-nitropyrimidine-4-caboxylate, ethyl 2,6-di chloro-5-nitropyrimidine-4-carboxylate, Ethyl 2,6-dichloro-5-nitro pyrimidine-4-carboxylate, 2,6-dichloro-5-nitropyrimidine-4-carboxylic acid ethyl ester, 4-Pyrimidinecarboxylic acid, 2,6-dichloro-5-nitro-, ethyl ester, ZINC01529120, ACN-052531, CID2761044,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.966g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.034g/mol
Monoisotopic Mass	264.966g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	97.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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