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1337882-12-8 | 1-(TETRAHYDRO-2H-PYRAN-2-YL)-3-IODO-1H-INDAZOLE
CAS No: 1337882-12-8 Catalog No: AG01EL8G MDL No:
Product Description
Catalog Number:
AG01EL8G
Chemical Name:
1-(TETRAHYDRO-2H-PYRAN-2-YL)-3-IODO-1H-INDAZOLE
CAS Number:
1337882-12-8
Molecular Formula:
C12H13IN2O
Molecular Weight:
328.1489
IUPAC Name:
3-iodo-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C12H13IN2O/c13-12-9-5-1-2-6-10(9)15(14-12)11-7-3-4-8-16-11/h1-2,5-6,11H,3-4,7-8H2
InChI Key:
YUBLZHLSCACZQU-UHFFFAOYSA-N
SMILES:
Ic1nn(c2c1cccc2)C1CCCCO1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.153g/mol
Monoisotopic Mass:
328.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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