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Home > Nitro Compounds > 88975-06-8
88975-06-8 | Benzothiazole, 2-[2-(4-nitrophenyl)-1-phenylethenyl]-
CAS No: 88975-06-8 Catalog No: AG0045B3 MDL No:
Product Description
Catalog Number:
AG0045B3
Chemical Name:
Benzothiazole, 2-[2-(4-nitrophenyl)-1-phenylethenyl]-
CAS Number:
88975-06-8
Molecular Formula:
C21H14N2O2S
Molecular Weight:
358.4131
IUPAC Name:
2-[2-(4-nitrophenyl)-1-phenylethenyl]-1,3-benzothiazole
InChI:
InChI=1S/C21H14N2O2S/c24-23(25)17-12-10-15(11-13-17)14-18(16-6-2-1-3-7-16)21-22-19-8-4-5-9-20(19)26-21/h1-14H
InChI Key:
CZIHQSAGYOQYSX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=C(c1nc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.415g/mol
Monoisotopic Mass:
358.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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