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Home > Nitro Compounds > 36238-81-0
36238-81-0 | 6-nitro-2,3-dihydro-1,2-benzoxazol-3-one
CAS No: 36238-81-0 Catalog No: AG01BIBV MDL No:MFCD25962731
Product Description
Catalog Number:
AG01BIBV
Chemical Name:
6-nitro-2,3-dihydro-1,2-benzoxazol-3-one
CAS Number:
36238-81-0
Molecular Formula:
C7H4N2O4
Molecular Weight:
180.1177
MDL Number:
MFCD25962731
IUPAC Name:
6-nitro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C7H4N2O4/c10-7-5-2-1-4(9(11)12)3-6(5)13-8-7/h1-3H,(H,8,10)
InChI Key:
CTXOGVILPOLLLD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)o[nH]c2=O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.119g/mol
Monoisotopic Mass:
180.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of D-amino acid oxidase inhibitors. | Journal of medicinal chemistry 20080626 |
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