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869006-97-3 | Thiazolo[5,4-f][1,4]oxazepine(9CI)
CAS No: 869006-97-3 Catalog No: AG004PBT MDL No:
Product Description
Catalog Number:
AG004PBT
Chemical Name:
Thiazolo[5,4-f][1,4]oxazepine(9CI)
CAS Number:
869006-97-3
Molecular Formula:
C6H4N2OS
Molecular Weight:
152.1738
IUPAC Name:
[1,3]thiazolo[5,4-f][1,4]oxazepine
InChI:
InChI=1S/C6H4N2OS/c1-2-9-6-5(3-7-1)10-4-8-6/h1-4H
InChI Key:
FWOSDBFWNQDPRS-UHFFFAOYSA-N
SMILES:
C1=COc2c(C=N1)scn2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.171g/mol
Monoisotopic Mass:
152.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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