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57238-25-2 | Isoxazolo[5,4-e][1,4]thiazepine (9CI)
CAS No: 57238-25-2 Catalog No: AG00EHYD MDL No:
Product Description
Catalog Number:
AG00EHYD
Chemical Name:
Isoxazolo[5,4-e][1,4]thiazepine (9CI)
CAS Number:
57238-25-2
IUPAC Name:
2,3-dihydro-[1,2]oxazolo[5,4-e][1,4]thiazepine
InChI:
InChI=1S/C6H6N2OS/c1-2-10-4-5-3-8-9-6(5)7-1/h1-2,4,8H,3H2
InChI Key:
PBICJJCWHUPPFU-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.187g/mol
Monoisotopic Mass:
154.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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