AG006TR3

959741-33-4 | Methyl 5-bromo-6-cyanopicolinate

AG006TR3

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CAS Number	959741-33-4
Catalog Number	AG006TR3(AGN-PC-0BSDEP)
Chemical Name	Methyl 5-bromo-6-cyanopicolinate
IUPAC Name	methyl 5-bromo-6-cyanopyridine-2-carboxylate
InChI	InChI=1S/C8H5BrN2O2/c1-13-8(12)6-3-2-5(9)7(4-10)11-6/h2-3H,1H3
InChI Key	GVHAAOWHVZMDRP-UHFFFAOYSA-N
MDL Number	MFCD08062838
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	O=C(OC)C1=NC(C#N)=C(Br)C=C1
Synonyms	methyl 5-bromo-6-cyanopicolinate, 959741-33-4, AK123533, methyl 5-bromo-6-cyanopyridine-2-carboxylate, SCHEMBL2968391, CTK5H8478, DTXSID40723509, GVHAAOWHVZMDRP-UHFFFAOYSA-N, KS-00000R7S, 6711AC, MFCD08062838, ZINC71864416, AKOS016011658, FCH1386336, AJ-118956, AX8247711, ST2402003, 4CH-019708, CS-0040071, 5-bromo-6-cyano-pyridine-2-carboxylic acid methyl ester, C8H5BrN2O2, Methyl5-bromo-6-cyanopicolinate,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.953g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.044g/mol
Monoisotopic Mass	239.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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