AG00AD44

154012-15-4 | 4,6-Dichloro-5-nitronicotinic acid ethyl ester

AG00AD44

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CAS Number	154012-15-4
Catalog Number	AG00AD44(AGN-PC-03FJP3)
Chemical Name	4,6-Dichloro-5-nitronicotinic acid ethyl ester
IUPAC Name	ethyl 4,6-dichloro-5-nitropyridine-3-carboxylate
InChI	InChI=1S/C8H6Cl2N2O4/c1-2-16-8(13)4-3-11-7(10)6(5(4)9)12(14)15/h3H,2H2,1H3
InChI Key	VMNMZVKEDHEOEJ-UHFFFAOYSA-N
MDL Number	MFCD09842620
Molecular Formula	C8H6Cl2N2O4
Molecular Weight	265.0502
SMILES	ClC1=C(C(=NC=C1C(=O)OCC)Cl)[N+](=O)[O-]
Synonyms	Ethyl 4,6-dichloro-5-nitronicotinate, 154012-15-4, ethyl 4,6-dichloro-5-nitropyridine-3-carboxylate, 4,6-Dichloro-5-nitronicotinic acid ethyl ester, AK-71139, W-205756, C8H6Cl2N2O4, SCHEMBL574989, CTK5I1947, DTXSID30617963, VMNMZVKEDHEOEJ-UHFFFAOYSA-N, KS-00000BX7, ZX-AT020480, ANW-55125, AR3386, Ethyl4,6-Dichloro-5-nitronicotinate, MFCD09842620, SBB053843, ZINC15020371, AKOS005073069, HD-0745, MP-0222, OR01969, RP06397, RP22671, RTR-065559, AJ-66781, SC-47632, SY038476, AB0040069, AX8202113, DB-064011, TR-065559, 4CH-009854, FT-0714559, ST24030586, Y7625, MFCD09842620 (95%), ethyl4,6-dichloro-5-nitro-3-pyridinecarboxlate, 4,6-dichloro-5-nitro-nicotinic acid ethyl ester, 2,4-Dichloro-5-(ethoxycarbonyl)-3-nitropyridine, ethyl 4,6-dichloro-5-nitro-3-pyridinecarboxylate, 3-(Trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 1-bromo-2-chloro-5-nitro-3-(trifluoromethyl)benzene, 1001020-14-9,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.97g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	265.046g/mol
Monoisotopic Mass	263.97g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	85A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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