Name: Name:1-tert-butyl 2-methyl 5-bromo-1,2,3,4-tetrahydropyridine-1,2-dicarboxylate
Brand: Angene
SKU: AG01EM9L
Rating: 90 (10 reviews)

1-tert-butyl 2-methyl 5-bromo-1,2,3,4-tetrahydropyridine-1,2-dicarboxylate

CAS No.:

2137478-18-1

Catalog Number:

AG01EM9L

Molecular Formula:

C12H18BrNO4

Molecular Weight:

320.1796

Catalog Number:

AG01EM9L

Chemical Name:

1-tert-butyl 2-methyl 5-bromo-1,2,3,4-tetrahydropyridine-1,2-dicarboxylate

CAS Number:

2137478-18-1

Molecular Formula:

C12H18BrNO4

Molecular Weight:

320.1796

IUPAC Name:

1-O-tert-butyl 2-O-methyl 5-bromo-3,4-dihydro-2H-pyridine-1,2-dicarboxylate

InChI:

InChI=1S/C12H18BrNO4/c1-12(2,3)18-11(16)14-7-8(13)5-6-9(14)10(15)17-4/h7,9H,5-6H2,1-4H3

InChI Key:

WADAXDGWUDMBBC-UHFFFAOYSA-N

SMILES:

COC(=O)C1CCC(=CN1C(=O)OC(C)(C)C)Br

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

319.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.183g/mol

Monoisotopic Mass:

319.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3