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830341-09-8 | 2-Pyrrolidinemethanol, 1-(2-azido-3,5-dibromobenzoyl)-, (2S)-
CAS No: 830341-09-8 Catalog No: AG004XUO MDL No:
Product Description
Catalog Number:
AG004XUO
Chemical Name:
2-Pyrrolidinemethanol, 1-(2-azido-3,5-dibromobenzoyl)-, (2S)-
CAS Number:
830341-09-8
Molecular Formula:
C12H12Br2N4O2
Molecular Weight:
404.0573
IUPAC Name:
(2-azido-3,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
InChI:
InChI=1S/C12H12Br2N4O2/c13-7-4-9(11(16-17-15)10(14)5-7)12(20)18-3-1-2-8(18)6-19/h4-5,8,19H,1-3,6H2/t8-/m0/s1
InChI Key:
FCGIWJGIPAXLQY-QMMMGPOBSA-N
SMILES:
[N-]=[N+]=Nc1c(Br)cc(cc1C(=O)N1CCC[C@H]1CO)Br
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
403.931g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.062g/mol
Monoisotopic Mass:
401.933g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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