AG00I84D

415912-99-1 | Ethyl 2-(6-nitropyridin-3-yl)acetate

AG00I84D

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CAS Number	415912-99-1
Catalog Number	AG00I84D(AGN-PC-0WANHT)
Chemical Name	Ethyl 2-(6-nitropyridin-3-yl)acetate
IUPAC Name	ethyl 2-(6-nitropyridin-3-yl)acetate
InChI	InChI=1S/C9H10N2O4/c1-2-15-9(12)5-7-3-4-8(10-6-7)11(13)14/h3-4,6H,2,5H2,1H3
InChI Key	ASKOALZZOBHQNZ-UHFFFAOYSA-N
MDL Number	MFCD26392644
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
SMILES	O=C(OCC)CC1=CC=C([N+]([O-])=O)N=C1
Synonyms	ethyl 2-(6-nitropyridin-3-yl)acetate, 415912-99-1, SCHEMBL2403198, ASKOALZZOBHQNZ-UHFFFAOYSA-N, ethyl(6-nitro-3-pyridinyl)acetate, ethyl (6-nitro-3-pyridinyl)acetate, ethyl (6-nitropyridin-3-yl)acetate, MFCD26392644, AKOS025147198, ZINC118818338, DS-8862, AK165026, CS-0091635, 3-Pyridineacetic acid, 6-nitro-, ethyl ester,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.189g/mol
Monoisotopic Mass	210.064g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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