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Home > Aldehydes > 830341-17-8
830341-17-8 | 2-Pyrrolidinecarboxaldehyde, 1-(2-azido-3,5-dibromobenzoyl)-, (2S)-
CAS No: 830341-17-8 Catalog No: AG004XUN MDL No:
Product Description
Catalog Number:
AG004XUN
Chemical Name:
2-Pyrrolidinecarboxaldehyde, 1-(2-azido-3,5-dibromobenzoyl)-, (2S)-
CAS Number:
830341-17-8
Molecular Formula:
C12H10Br2N4O2
Molecular Weight:
402.0414
IUPAC Name:
(2S)-1-(2-azido-3,5-dibromobenzoyl)pyrrolidine-2-carbaldehyde
InChI:
InChI=1S/C12H10Br2N4O2/c13-7-4-9(11(16-17-15)10(14)5-7)12(20)18-3-1-2-8(18)6-19/h4-6,8H,1-3H2/t8-/m0/s1
InChI Key:
DBAYRMYETAXLJJ-QMMMGPOBSA-N
SMILES:
[N-]=[N+]=Nc1c(Br)cc(cc1C(=O)N1CCC[C@H]1C=O)Br
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
401.915g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.046g/mol
Monoisotopic Mass:
399.917g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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