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1232423-55-0 | Imidodicarbonic acid, 2-(5-bromo-3-ethynyl-2-pyrazinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 1232423-55-0 Catalog No: AG000K7Z MDL No:
Product Description
Catalog Number:
AG000K7Z
Chemical Name:
Imidodicarbonic acid, 2-(5-bromo-3-ethynyl-2-pyrazinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
1232423-55-0
Molecular Formula:
C16H20BrN3O4
Molecular Weight:
398.2517
IUPAC Name:
tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C16H20BrN3O4/c1-8-10-12(18-9-11(17)19-10)20(13(21)23-15(2,3)4)14(22)24-16(5,6)7/h1,9H,2-7H3
InChI Key:
PLHJZPJJSJPZJV-UHFFFAOYSA-N
SMILES:
C#Cc1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.257g/mol
Monoisotopic Mass:
397.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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