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Home > Nitro Compounds > 89373-94-4
89373-94-4 | 2-Propenamide, N-(5-nitro-2-benzothiazolyl)-3-phenyl-, (E)-
CAS No: 89373-94-4 Catalog No: AG003XAS MDL No:
Product Description
Catalog Number:
AG003XAS
Chemical Name:
2-Propenamide, N-(5-nitro-2-benzothiazolyl)-3-phenyl-, (E)-
CAS Number:
89373-94-4
Molecular Formula:
C16H11N3O3S
Molecular Weight:
325.3418
IUPAC Name:
N-(5-nitro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
InChI:
InChI=1S/C16H11N3O3S/c20-15(9-6-11-4-2-1-3-5-11)18-16-17-13-10-12(19(21)22)7-8-14(13)23-16/h1-10H,(H,17,18,20)
InChI Key:
OZOXFHMUVBYCOS-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc2c(s1)ccc(c2)[N+](=O)[O-])/C=C/c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.052g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.342g/mol
Monoisotopic Mass:
325.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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