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27629-49-8 | Isoxazolo[5,4-d][1,3]thiazepine (8CI,9CI)
CAS No: 27629-49-8 Catalog No: AG002UAJ MDL No:
Product Description
Catalog Number:
AG002UAJ
Chemical Name:
Isoxazolo[5,4-d][1,3]thiazepine (8CI,9CI)
CAS Number:
27629-49-8
Molecular Formula:
C6H4N2OS
Molecular Weight:
152.1738
IUPAC Name:
[1,2]oxazolo[5,4-d][1,3]thiazepine
InChI:
InChI=1S/C6H4N2OS/c1-2-10-4-7-6-5(1)3-8-9-6/h1-4H
InChI Key:
KAUHWLTUPGNARS-UHFFFAOYSA-N
SMILES:
S1C=Cc2c(N=C1)onc2
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:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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