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Home > Nitro Compounds > 1823353-28-1
1823353-28-1 | 1,2-Benzisoxazole, 4-nitro-
CAS No: 1823353-28-1 Catalog No: AG0023O2 MDL No:MFCD26743746
Product Description
Catalog Number:
AG0023O2
Chemical Name:
1,2-Benzisoxazole, 4-nitro-
CAS Number:
1823353-28-1
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD26743746
IUPAC Name:
4-nitro-1,2-benzoxazole
InChI:
InChI=1S/C7H4N2O3/c10-9(11)6-2-1-3-7-5(6)4-8-12-7/h1-4H
InChI Key:
PWRLVIBSLCSATP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cno2
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:
1.5
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