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Home > Nitro Compounds > 4230-91-5
4230-91-5 | 2-[(2,4-Dinitrophenyl)thio]-benzothiazole
CAS No: 4230-91-5 Catalog No: AG01DQ3B MDL No:MFCD00059704
Product Description
Catalog Number:
AG01DQ3B
Chemical Name:
2-[(2,4-Dinitrophenyl)thio]-benzothiazole
CAS Number:
4230-91-5
MDL Number:
MFCD00059704
IUPAC Name:
2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C13H7N3O4S2/c17-15(18)8-5-6-12(10(7-8)16(19)20)22-13-14-9-3-1-2-4-11(9)21-13/h1-7H
InChI Key:
RCPUUVXIUIWMEE-UHFFFAOYSA-N
EC Number:
224-183-3
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.988g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.336g/mol
Monoisotopic Mass:
332.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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