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Home > Nitro Compounds > 63788-91-0
63788-91-0 | Benzothiazole, 4-butyl-7-nitroso- (9CI)
CAS No: 63788-91-0 Catalog No: AG00F6E0 MDL No:
Product Description
Catalog Number:
AG00F6E0
Chemical Name:
Benzothiazole, 4-butyl-7-nitroso- (9CI)
CAS Number:
63788-91-0
IUPAC Name:
4-butyl-7-nitroso-1,3-benzothiazole
InChI:
InChI=1S/C11H12N2OS/c1-2-3-4-8-5-6-9(13-14)11-10(8)12-7-15-11/h5-7H,2-4H2,1H3
InChI Key:
AKHKJZUVNRGZTM-UHFFFAOYSA-N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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