AG008Z12

1211519-89-9 | Methyl 6-bromo-5-nitronicotinate

AG008Z12

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CAS Number	1211519-89-9
Catalog Number	AG008Z12(AGN-PC-0WNRA7)
Chemical Name	Methyl 6-bromo-5-nitronicotinate
IUPAC Name	methyl 6-bromo-5-nitropyridine-3-carboxylate
InChI	InChI=1S/C7H5BrN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3
InChI Key	DBBBELCPCXHASZ-UHFFFAOYSA-N
MDL Number	MFCD18257551
Molecular Formula	C7H5BrN2O4
Molecular Weight	261.0296
SMILES	O=C(OC)C1=CN=C(Br)C([N+]([O-])=O)=C1
Synonyms	Methyl 6-bromo-5-nitronicotinate, 1211519-89-9, methyl 6-bromo-5-nitropyridine-3-carboxylate, SCHEMBL18227400, DTXSID60856287, MFCD18257551, ZINC95093139, AKOS016014534, NE26124, AK131006, AS-50327, AJ-132233, Methyl6-bromo-5-nitronicotinate,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.943g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.031g/mol
Monoisotopic Mass	259.943g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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