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208938-48-1 | 5-Isoxazolamine, 4-(2-benzothiazolyl)-
CAS No: 208938-48-1 Catalog No: AG002JYC MDL No:MFCD11656614
Product Description
Catalog Number:
AG002JYC
Chemical Name:
5-Isoxazolamine, 4-(2-benzothiazolyl)-
CAS Number:
208938-48-1
Molecular Formula:
C10H7N3OS
Molecular Weight:
217.2471
MDL Number:
MFCD11656614
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C10H7N3OS/c11-9-6(5-12-14-9)10-13-7-3-1-2-4-8(7)15-10/h1-5H,11H2
InChI Key:
URYWOCYRNYXAKM-UHFFFAOYSA-N
SMILES:
Nc1oncc1c1nc2c(s1)cccc2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.246g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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