AG000ODI

1256790-45-0 | 3-Pyridinecarbonitrile, 6-bromo-2-methoxy-

AG000ODI

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CAS Number	1256790-45-0
Catalog Number	AG000ODI(AGN-PC-0WD0KO)
Chemical Name	3-Pyridinecarbonitrile, 6-bromo-2-methoxy-
IUPAC Name	6-bromo-2-methoxypyridine-3-carbonitrile
InChI	InChI=1S/C7H5BrN2O/c1-11-7-5(4-9)2-3-6(8)10-7/h2-3H,1H3
InChI Key	ROGDTAWLZWYISW-UHFFFAOYSA-N
MDL Number	MFCD18258525
Molecular Formula	C7H5BrN2O
Molecular Weight	213.0314
SMILES	N#CC1=C(OC)N=C(Br)C=C1
Synonyms	6-Bromo-2-methoxynicotinonitrile, 1256790-45-0, 3-Pyridinecarbonitrile, 6-bromo-2-methoxy-, 6-bromo-2-methoxypyridine-3-carbonitrile, DTXSID60856944, ZINC95830458, FCH1366018, AJ-134600, AX8226187, FT-0762724,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.034g/mol
Monoisotopic Mass	211.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.9A^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-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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