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1257426-57-5 | 5H-Imidazo[2,1-b][1,3]oxazine, 6-[(6-chloro-3-pyridinyl)methoxy]-6,7-dihydro-2-nitro-, (6S)-
CAS No: 1257426-57-5 Catalog No: AG000OLA MDL No:
Product Description
Catalog Number:
AG000OLA
Chemical Name:
5H-Imidazo[2,1-b][1,3]oxazine, 6-[(6-chloro-3-pyridinyl)methoxy]-6,7-dihydro-2-nitro-, (6S)-
CAS Number:
1257426-57-5
Molecular Formula:
C12H11ClN4O4
Molecular Weight:
310.6931
IUPAC Name:
(6S)-6-[(6-chloropyridin-3-yl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
InChI:
InChI=1S/C12H11ClN4O4/c13-10-2-1-8(3-14-10)6-20-9-4-16-5-11(17(18)19)15-12(16)21-7-9/h1-3,5,9H,4,6-7H2/t9-/m0/s1
InChI Key:
BNTGMIQQOSNUDH-VIFPVBQESA-N
SMILES:
Clc1ccc(cn1)CO[C@@H]1COc2n(C1)cc(n2)[N+](=O)[O-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.694g/mol
Monoisotopic Mass:
310.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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