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1156893-80-9 | 2-iodo-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
CAS No: 1156893-80-9 Catalog No: AG01AZ4U MDL No:MFCD12112868
Product Description
Catalog Number:
AG01AZ4U
Chemical Name:
2-iodo-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
CAS Number:
1156893-80-9
Molecular Formula:
C11H12IN3
Molecular Weight:
313.1376
MDL Number:
MFCD12112868
IUPAC Name:
2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
InChI:
InChI=1S/C11H12IN3/c1-8-9(7-14-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3,(H,14,15)
InChI Key:
SILGPIPUDJAVMF-UHFFFAOYSA-N
SMILES:
Ic1ccccc1NCc1c[nH]nc1C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.008g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.142g/mol
Monoisotopic Mass:
313.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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