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63876-63-1 | Benzothiazole, 2-isocyanato-5-methyl- (9CI)
CAS No: 63876-63-1 Catalog No: AG00F69D MDL No:
Product Description
Catalog Number:
AG00F69D
Chemical Name:
Benzothiazole, 2-isocyanato-5-methyl- (9CI)
CAS Number:
63876-63-1
IUPAC Name:
2-isocyanato-5-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2OS/c1-6-2-3-8-7(4-6)11-9(13-8)10-5-12/h2-4H,1H3
InChI Key:
PPVFCNCAOMPPMI-UHFFFAOYSA-N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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