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1218791-05-9 | 1H-Pyrazole, 5-(1,1-dimethylethyl)-3-iodo-
CAS No: 1218791-05-9 Catalog No: AG0016B2 MDL No:MFCD13195724
Product Description
Catalog Number:
AG0016B2
Chemical Name:
1H-Pyrazole, 5-(1,1-dimethylethyl)-3-iodo-
CAS Number:
1218791-05-9
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
MDL Number:
MFCD13195724
IUPAC Name:
5-tert-butyl-3-iodo-1H-pyrazole
InChI:
InChI=1S/C7H11IN2/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H,9,10)
InChI Key:
QLPPZOPSXKIOCZ-UHFFFAOYSA-N
SMILES:
CC(c1[nH]nc(c1)I)(C)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.083g/mol
Monoisotopic Mass:
249.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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