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2091762-32-0 | 1-[(4-iodo-1-methyl-1H-pyrazol-5-yl)methyl]piperazine
CAS No: 2091762-32-0 Catalog No: AG01BSR9 MDL No:MFCD30538948
Product Description
Catalog Number:
AG01BSR9
Chemical Name:
1-[(4-iodo-1-methyl-1H-pyrazol-5-yl)methyl]piperazine
CAS Number:
2091762-32-0
Molecular Formula:
C9H15IN4
Molecular Weight:
306.1467
MDL Number:
MFCD30538948
IUPAC Name:
1-[(4-iodo-2-methylpyrazol-3-yl)methyl]piperazine
InChI:
InChI=1S/C9H15IN4/c1-13-9(8(10)6-12-13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3
InChI Key:
OWVVTBOMBPKEQV-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1CN1CCNCC1)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.151g/mol
Monoisotopic Mass:
306.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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