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400753-02-8 | 4-IODO-3-NITRO-1H-PYRAZOLE
CAS No: 400753-02-8 Catalog No: AG00CIUN MDL No:MFCD01821344
Product Description
Catalog Number:
AG00CIUN
Chemical Name:
4-IODO-3-NITRO-1H-PYRAZOLE
CAS Number:
400753-02-8
Molecular Formula:
C3H2IN3O2
Molecular Weight:
238.9714
MDL Number:
MFCD01821344
IUPAC Name:
4-iodo-5-nitro-1H-pyrazole
InChI:
InChI=1S/C3H2IN3O2/c4-2-1-5-6-3(2)7(8)9/h1H,(H,5,6)
InChI Key:
NEPSFLAVWLZQKP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n[nH]cc1I
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.919g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.972g/mol
Monoisotopic Mass:
238.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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