AG003RT7

103698-10-8 | Methyl 3-nitroisonicotinate

AG003RT7

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CAS Number	103698-10-8
Catalog Number	AG003RT7(AGN-PC-0JU8LE)
Chemical Name	Methyl 3-nitroisonicotinate
IUPAC Name	methyl 3-nitropyridine-4-carboxylate
InChI	InChI=1S/C7H6N2O4/c1-13-7(10)5-2-3-8-4-6(5)9(11)12/h2-4H,1H3
InChI Key	VFZBLITUPLITGH-UHFFFAOYSA-N
MDL Number	MFCD16657194
Molecular Formula	C7H6N2O4
Molecular Weight	182.1335
SMILES	O=C(OC)C1=CC=NC=C1[N+]([O-])=O
Synonyms	methyl 3-nitroisonicotinate, 103698-10-8, methyl 3-nitropyridine-4-carboxylate, 4-pyridinecarboxylic acid, 3-nitro-, methyl ester, 3-nitroisonicotinic acid methyl ester, AK-90207, 3-Nitro-isonicotinic acid methyl ester, Methyl3-Nitroisonicotinate, ACMC-20acee, AC1LD7EP, TPC-PY005, TPC-PY027, SCHEMBL2747914, AMPD00253, CTK0D8388, KS-00000BSO, DTXSID10349210, BCP11641, ANW-66996, MFCD16657194, ZINC32303162, AKOS016008083, AM85455, CS-W003882, DS-2580, FCH1188398, QC-1855, TRA0041678, AJ-85250, CJ-17953, SC-92959, SY026676, AB0058696, AX8238220, ST2413372, TC-155741, 4CH-002099, FT-0697219, Z3828, 3-Nitropyridine-4-carboxylic acid methyl ester, M-8481, MFCD16657194 (97+%), InChI=1/C7H6N2O4/c1-13-7(10)5-2-3-8-4-6(5)9(11)12/h2-4H,1H, C7H6N2O4, CID643518, ACN-031649,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.033g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.135g/mol
Monoisotopic Mass	182.033g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

Lot Number