AG004WD0

831203-34-0 | tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate

AG004WD0

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CAS Number	831203-34-0
Catalog Number	AG004WD0(AGN-PC-09RPVC)
Chemical Name	tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate
IUPAC Name	tert-butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate
InChI	InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)9(6-14)10-5-4-8(13)7-15-10/h4-5,7,9H,1-3H3
InChI Key	PGJMVMLMMGJZLZ-UHFFFAOYSA-N
MDL Number	MFCD18311911
Molecular Formula	C12H13BrN2O2
Molecular Weight	297.1478
SMILES	CC(C)(C)OC(=O)C(C#N)C1=NC=C(Br)C=C1
Synonyms	tert-Butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate, 831203-34-0, T-BUTYL 2-(5-BROMOPYRIDIN-2-YL)-2-CYANOACETATE, (5-bromo-pyridin-2-yl)-cyano-acetic acid tert-butyl ester, AK-91427, 1279820-53-9, ACMC-209pra, SCHEMBL2440167, CTK5F0399, KS-00000PZJ, DTXSID80695635, PGJMVMLMMGJZLZ-UHFFFAOYSA-N, ANW-37652, AKOS015834672, DS-17445, AX8229842, TR-037930, 4CH-011717, ST24025837, V7901, tert-Butyl (5-bromopyridin-2-yl)(cyano)acetate, I14-24957, 2-Pyridineacetic acid, 5-bromo-?-cyano-, 1,1-dimethylethyl ester, C12H13BrN2O2,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.016g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.152g/mol
Monoisotopic Mass	296.016g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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