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Home > Nitro Compounds > 336180-27-9
336180-27-9 | 2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(4-nitro-phenyl)-ethanone
CAS No: 336180-27-9 Catalog No: AG01EVIG MDL No:
Product Description
Catalog Number:
AG01EVIG
Chemical Name:
2-[5-(2-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-(4-nitro-phenyl)-ethanone
CAS Number:
336180-27-9
Molecular Formula:
C16H11N3O5S
Molecular Weight:
357.3406
IUPAC Name:
2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C16H11N3O5S/c20-13-4-2-1-3-12(13)15-17-18-16(24-15)25-9-14(21)10-5-7-11(8-6-10)19(22)23/h1-8,20H,9H2
InChI Key:
WMEGBGNPXCKWRG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(o1)c1ccccc1O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.042g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.34g/mol
Monoisotopic Mass:
357.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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