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1955558-18-5 | 3-(5-imino-4-iodo-3-methyl-2,5-dihydro-1H-pyrazol-1-yl)propanenitrile
CAS No: 1955558-18-5 Catalog No: AG019MDZ MDL No:MFCD09863459
Product Description
Catalog Number:
AG019MDZ
Chemical Name:
3-(5-imino-4-iodo-3-methyl-2,5-dihydro-1H-pyrazol-1-yl)propanenitrile
CAS Number:
1955558-18-5
Molecular Formula:
C7H9IN4
Molecular Weight:
276.0776
MDL Number:
MFCD09863459
IUPAC Name:
3-(5-amino-4-iodo-3-methylpyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C7H9IN4/c1-5-6(8)7(10)12(11-5)4-2-3-9/h2,4,10H2,1H3
InChI Key:
PBEZOKOFLBWAEB-UHFFFAOYSA-N
SMILES:
N#CCCn1[nH]c(c(c1=N)I)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.987g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.081g/mol
Monoisotopic Mass:
275.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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