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Home > Nitro Compounds > 125533-84-8
125533-84-8 | Benzoxazole, 7-nitro-
CAS No: 125533-84-8 Catalog No: AG000NU7 MDL No:
Product Description
Catalog Number:
AG000NU7
Chemical Name:
Benzoxazole, 7-nitro-
CAS Number:
125533-84-8
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
IUPAC Name:
7-nitro-1,3-benzoxazole
InChI:
InChI=1S/C7H4N2O3/c10-9(11)6-3-1-2-5-7(6)12-4-8-5/h1-4H
InChI Key:
PYKCPDONDNZQBJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ocn2
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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