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2137478-18-1 | 1-tert-butyl 2-methyl 5-bromo-1,2,3,4-tetrahydropyridine-1,2-dicarboxylate
CAS No: 2137478-18-1 Catalog No: AG01EM9L MDL No:MFCD31559039
Product Description
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
MDL Number:
MFCD31559039
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
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.183g/mol
Monoisotopic Mass:
319.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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