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63876-69-7 | Benzothiazole, 2-isocyanato-4-methoxy- (9CI)
CAS No: 63876-69-7 Catalog No: AG00EO9P MDL No:
Product Description
Catalog Number:
AG00EO9P
Chemical Name:
Benzothiazole, 2-isocyanato-4-methoxy- (9CI)
CAS Number:
63876-69-7
IUPAC Name:
2-isocyanato-4-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2O2S/c1-13-6-3-2-4-7-8(6)11-9(14-7)10-5-12/h2-4H,1H3
InChI Key:
WGQVLCVERKHKFM-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.219g/mol
Monoisotopic Mass:
206.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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