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Home > Other Heterocycles > 87958-15-4
87958-15-4 | 1,2-Diazabicyclo[5.2.0]nona-3,5-dien-9-one, 8-azido-2-benzoyl-, cis-
CAS No: 87958-15-4 Catalog No: AG004E8Y MDL No:
Product Description
Catalog Number:
AG004E8Y
Chemical Name:
1,2-Diazabicyclo[5.2.0]nona-3,5-dien-9-one, 8-azido-2-benzoyl-, cis-
CAS Number:
87958-15-4
Molecular Formula:
C14H11N5O2
Molecular Weight:
281.2694
IUPAC Name:
(7R,8R)-8-azido-2-benzoyl-1,2-diazabicyclo[5.2.0]nona-3,5-dien-9-one
InChI:
InChI=1S/C14H11N5O2/c15-17-16-12-11-8-4-5-9-18(19(11)14(12)21)13(20)10-6-2-1-3-7-10/h1-9,11-12H/t11-,12-/m1/s1
InChI Key:
LUKQVLDQKGBXBS-VXGBXAGGSA-N
SMILES:
[N-]=[N+]=N[C@H]1C(=O)N2[C@@H]1C=CC=CN2C(=O)c1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
281.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.275g/mol
Monoisotopic Mass:
281.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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