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125736-65-4 | 2H-Thiazolo[4,5-h][1,4]benzoxazine (9CI)
CAS No: 125736-65-4 Catalog No: AG000OKN MDL No:
Product Description
Catalog Number:
AG000OKN
Chemical Name:
2H-Thiazolo[4,5-h][1,4]benzoxazine (9CI)
CAS Number:
125736-65-4
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
IUPAC Name:
2H-[1,3]thiazolo[4,5-h][1,4]benzoxazine
InChI:
InChI=1S/C9H6N2OS/c1-2-7-9(13-5-11-7)8-6(1)10-3-4-12-8/h1-4H,5H2
InChI Key:
YECQFYYAHNLTRV-UHFFFAOYSA-N
SMILES:
C1Sc2c(=N1)ccc1=NC=COc21
Properties
Complexity:
415
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:
0
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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