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73217-78-4 | 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CAS No: 73217-78-4 Catalog No: AG01B7I6 MDL No:MFCD10696402
Product Description
Catalog Number:
AG01B7I6
Chemical Name:
3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CAS Number:
73217-78-4
Molecular Formula:
C9H5N3O4
Molecular Weight:
219.1537
MDL Number:
MFCD10696402
IUPAC Name:
3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carbaldehyde
InChI:
InChI=1S/C9H5N3O4/c13-5-8-10-9(11-16-8)6-1-3-7(4-2-6)12(14)15/h1-5H
InChI Key:
NUBDABBFPSPVHP-UHFFFAOYSA-N
SMILES:
O=Cc1onc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.156g/mol
Monoisotopic Mass:
219.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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