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780021-95-6 | Isoquinoline, 5-(3-azetidinyloxy)- (9CI)
CAS No: 780021-95-6 Catalog No: AG00G6RU MDL No:
Product Description
Catalog Number:
AG00G6RU
Chemical Name:
Isoquinoline, 5-(3-azetidinyloxy)- (9CI)
CAS Number:
780021-95-6
IUPAC Name:
5-(azetidin-3-yloxy)isoquinoline
InChI:
InChI=1S/C12H12N2O/c1-2-9-6-13-5-4-11(9)12(3-1)15-10-7-14-8-10/h1-6,10,14H,7-8H2
InChI Key:
ZSRJOTNQPULKAQ-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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