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6647-96-7 | MFCD15146432
CAS No: 6647-96-7 Catalog No: AG00FGCS MDL No:MFCD15146432
Product Description
Catalog Number:
AG00FGCS
Chemical Name:
MFCD15146432
CAS Number:
6647-96-7
Molecular Formula:
C5H7IN2
Molecular Weight:
222.0269
MDL Number:
MFCD15146432
IUPAC Name:
4-iodo-1,5-dimethylpyrazole
InChI:
InChI=1S/C5H7IN2/c1-4-5(6)3-7-8(4)2/h3H,1-2H3
InChI Key:
QXAYSWMALOLASK-UHFFFAOYSA-N
SMILES:
Cc1c(I)cnn1C
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.029g/mol
Monoisotopic Mass:
221.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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