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Home > Nitro Compounds > 159717-70-1
159717-70-1 | D-Proline, 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS No: 159717-70-1 Catalog No: AG001RCS MDL No:
Product Description
Catalog Number:
AG001RCS
Chemical Name:
D-Proline, 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS Number:
159717-70-1
Molecular Formula:
C11H10N4O5
Molecular Weight:
278.2209
IUPAC Name:
(2R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H10N4O5/c16-11(17)8-2-1-5-14(8)6-3-4-7(15(18)19)10-9(6)12-20-13-10/h3-4,8H,1-2,5H2,(H,16,17)/t8-/m1/s1
InChI Key:
KKWDSQYPOCTRRA-MRVPVSSYSA-N
SMILES:
OC(=O)[C@H]1CCCN1c1ccc(c2c1non2)[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
278.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.224g/mol
Monoisotopic Mass:
278.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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