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945925-78-0 | 3-iodo-4,5,6,7-tetrahydro-1H-indazole
CAS No: 945925-78-0 Catalog No: AG00IIDA MDL No:MFCD26406996
Product Description
Catalog Number:
AG00IIDA
Chemical Name:
3-iodo-4,5,6,7-tetrahydro-1H-indazole
CAS Number:
945925-78-0
Molecular Formula:
C7H9IN2
Molecular Weight:
248.0642
MDL Number:
MFCD26406996
IUPAC Name:
3-iodo-4,5,6,7-tetrahydro-1H-indazole
InChI:
InChI=1S/C7H9IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)
InChI Key:
AZHMCMMGUMQQHX-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1CCCC2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.067g/mol
Monoisotopic Mass:
247.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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