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Home > Imidazoles > 187235-61-6
187235-61-6 | (r)-6-(4-tert-butylbenzyloxy)-2-nitro-6,7-dihydro-5h-imidazo(2,1-b)(1,3)oxazine
CAS No: 187235-61-6 Catalog No: AG007S13 MDL No:
Product Description
Catalog Number:
AG007S13
Chemical Name:
(r)-6-(4-tert-butylbenzyloxy)-2-nitro-6,7-dihydro-5h-imidazo(2,1-b)(1,3)oxazine
CAS Number:
187235-61-6
Molecular Formula:
C17H21N3O4
Molecular Weight:
331.3663
IUPAC Name:
(6R)-6-[(4-tert-butylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
InChI:
InChI=1S/C17H21N3O4/c1-17(2,3)13-6-4-12(5-7-13)10-23-14-8-19-9-15(20(21)22)18-16(19)24-11-14/h4-7,9,14H,8,10-11H2,1-3H3/t14-/m1/s1
InChI Key:
JXLQETUQSQDOTD-CQSZACIVSA-N
SMILES:
[O-][N+](=O)c1cn2c(n1)OC[C@@H](C2)OCc1ccc(cc1)C(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
331.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.372g/mol
Monoisotopic Mass:
331.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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