AG007WA6

171876-22-5 | Ethyl 6-chloro-5-nitronicotinate

AG007WA6

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CAS Number	171876-22-5
Catalog Number	AG007WA6(AGN-PC-0L00L6)
Chemical Name	Ethyl 6-chloro-5-nitronicotinate
IUPAC Name	ethyl 6-chloro-5-nitropyridine-3-carboxylate
InChI	InChI=1S/C8H7ClN2O4/c1-2-15-8(12)5-3-6(11(13)14)7(9)10-4-5/h3-4H,2H2,1H3
InChI Key	RJGYARAKIVLQAQ-UHFFFAOYSA-N
MDL Number	MFCD02317481
Molecular Formula	C8H7ClN2O4
Molecular Weight	230.6052
SMILES	O=C(OCC)C1=CN=C(Cl)C([N+]([O-])=O)=C1
Synonyms	Ethyl 6-chloro-5-nitronicotinate, 171876-22-5, ethyl 6-chloro-5-nitropyridine-3-carboxylate, Ethyl 6-chloro-5-nitro-3-pyridinecarboxylate, 6-chloro-5-nitro-nicotinic acid ethyl ester, 6-chloro-5-nitro-3-pyridinecarboxylic acid ethyl ester, AC1MX37G, SCHEMBL474024, CTK8B8532, DTXSID50396369, RJGYARAKIVLQAQ-UHFFFAOYSA-N, ZINC157339, 8836AA, ANW-60616, MFCD02317481, AKOS015891948, SB11534, KS-000004F9, ACM171876225, AJ-14994, AK-88011, AN-30814, AS-33980, SC-87875, AX8161718, DB-010176, TC-149361, CS-0049414, FT-0658665, ethyl 6-chloro-5-nitro-pyridine-3-carboxylate, 876E225, A811360, ethyl 6-chloranyl-5-nitro-pyridine-3-carboxylate, I02-1943, C8H7ClN2O4, ZINC00157339, CID3784053,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.009g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.604g/mol
Monoisotopic Mass	230.009g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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