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3791-63-7 | 1,2-Dihydro-4-(131I)iodo-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CAS No: 3791-63-7 Catalog No: AG00CUVK MDL No:
Product Description
Catalog Number:
AG00CUVK
Chemical Name:
1,2-Dihydro-4-(131I)iodo-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CAS Number:
3791-63-7
IUPAC Name:
4-(131I)iodanyl-1,5-dimethyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3/i12+4
InChI Key:
ZZOBLCHCPLOXCE-HJSJVHDISA-N
UNII:
QR6HQ1U73Z
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.993g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1
Molecular Weight:
318.128g/mol
Monoisotopic Mass:
317.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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