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Home > Nitro Compounds > 73217-62-6
73217-62-6 | [3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CAS No: 73217-62-6 Catalog No: AG01BH0P MDL No:MFCD28246246
Product Description
Catalog Number:
AG01BH0P
Chemical Name:
[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanediol
CAS Number:
73217-62-6
Molecular Formula:
C9H7N3O5
Molecular Weight:
237.1690
MDL Number:
MFCD28246246
IUPAC Name:
[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanediol
InChI:
InChI=1S/C9H7N3O5/c13-9(14)8-10-7(11-17-8)5-1-3-6(4-2-5)12(15)16/h1-4,9,13-14H
InChI Key:
PYJFHJFQSWQNOD-UHFFFAOYSA-N
SMILES:
OC(c1onc(n1)c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.171g/mol
Monoisotopic Mass:
237.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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