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1005592-09-5 | 4-iodo-1H-pyrazole-5-carbohydrazide
CAS No: 1005592-09-5 Catalog No: AG00H999 MDL No:MFCD00605167
Product Description
Catalog Number:
AG00H999
Chemical Name:
4-iodo-1H-pyrazole-5-carbohydrazide
CAS Number:
1005592-09-5
Molecular Formula:
C4H5IN4O
Molecular Weight:
252.0132
MDL Number:
MFCD00605167
IUPAC Name:
4-iodo-1H-pyrazole-5-carbohydrazide
InChI:
InChI=1S/C4H5IN4O/c5-2-1-7-9-3(2)4(10)8-6/h1H,6H2,(H,7,9)(H,8,10)
InChI Key:
OPDJNLXKTZTTFT-UHFFFAOYSA-N
SMILES:
NNC(=O)c1c(I)cn[nH]1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.951g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.015g/mol
Monoisotopic Mass:
251.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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