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Home > Nitro Compounds > 69978-04-7
69978-04-7 | 3-(4-Nitrophenyl)-4-phenylsydnone
CAS No: 69978-04-7 Catalog No: AG00G1CA MDL No:
Product Description
Catalog Number:
AG00G1CA
Chemical Name:
3-(4-Nitrophenyl)-4-phenylsydnone
CAS Number:
69978-04-7
IUPAC Name:
3-(4-nitrophenyl)-4-phenyloxadiazol-3-ium-5-olate
InChI:
InChI=1S/C14H9N3O4/c18-14-13(10-4-2-1-3-5-10)16(15-21-14)11-6-8-12(9-7-11)17(19)20/h1-9H
InChI Key:
PMYKAXNRHLFYJR-UHFFFAOYSA-N
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.243g/mol
Monoisotopic Mass:
283.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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