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Home > Nitro Compounds > 162149-66-8
162149-66-8 | D-Serine, N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS No: 162149-66-8 Catalog No: AG001SSV MDL No:
Product Description
Catalog Number:
AG001SSV
Chemical Name:
D-Serine, N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS Number:
162149-66-8
Molecular Formula:
C9H8N4O6
Molecular Weight:
268.1830
IUPAC Name:
(2R)-3-hydroxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid
InChI:
InChI=1S/C9H8N4O6/c14-3-5(9(15)16)10-4-1-2-6(13(17)18)8-7(4)11-19-12-8/h1-2,5,10,14H,3H2,(H,15,16)/t5-/m1/s1
InChI Key:
HJOSBADKMPJMLF-RXMQYKEDSA-N
SMILES:
OC[C@H](C(=O)O)Nc1ccc(c2c1non2)[N+](=O)[O-]
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
268.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.185g/mol
Monoisotopic Mass:
268.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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