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1339261-01-6 | 4-IODO-3-(4-NITROPHENYL)-1H-PYRAZOLE
CAS No: 1339261-01-6 Catalog No: AG01DX0Z MDL No:
Product Description
Catalog Number:
AG01DX0Z
Chemical Name:
4-IODO-3-(4-NITROPHENYL)-1H-PYRAZOLE
CAS Number:
1339261-01-6
IUPAC Name:
4-iodo-5-(4-nitrophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6IN3O2/c10-8-5-11-12-9(8)6-1-3-7(4-2-6)13(14)15/h1-5H,(H,11,12)
InChI Key:
WEURNUWKXFKOFC-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.07g/mol
Monoisotopic Mass:
314.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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