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70886-33-8 | 5-Nitrobenzo[d]oxazole
CAS No: 70886-33-8 Catalog No: AG003MX6 MDL No:MFCD01359855
Product Description
Catalog Number:
AG003MX6
Chemical Name:
5-Nitrobenzo[d]oxazole
CAS Number:
70886-33-8
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD01359855
IUPAC Name:
5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C7H4N2O3/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H
InChI Key:
MNEOLRFGVQZMLA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nco2
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:
1.4
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