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1309788-50-8 | 3-iodo-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole
CAS No: 1309788-50-8 Catalog No: AG00HSB0 MDL No:MFCD26406997
Product Description
Catalog Number:
AG00HSB0
Chemical Name:
3-iodo-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole
CAS Number:
1309788-50-8
Molecular Formula:
C9H13IN2
Molecular Weight:
276.1174
MDL Number:
MFCD26406997
IUPAC Name:
3-iodo-6,6-dimethyl-1,4,5,7-tetrahydroindazole
InChI:
InChI=1S/C9H13IN2/c1-9(2)4-3-6-7(5-9)11-12-8(6)10/h3-5H2,1-2H3,(H,11,12)
InChI Key:
ZDWZKCXTTCFVQE-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1CCC(C2)(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.121g/mol
Monoisotopic Mass:
276.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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