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75096-67-2 | 2,5-diphenyl-3-nitrosopyrrole
CAS No: 75096-67-2 Catalog No: AG005ECP MDL No:
Product Description
Catalog Number:
AG005ECP
Chemical Name:
2,5-diphenyl-3-nitrosopyrrole
CAS Number:
75096-67-2
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
IUPAC Name:
3-nitroso-2,5-diphenyl-1H-pyrrole
InChI:
InChI=1S/C16H12N2O/c19-18-15-11-14(12-7-3-1-4-8-12)17-16(15)13-9-5-2-6-10-13/h1-11,17H
InChI Key:
QWYPKPHVYMSSKS-UHFFFAOYSA-N
SMILES:
O=Nc1cc([nH]c1c1ccccc1)c1ccccc1
NSC Number:
58939
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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