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1152555-91-3 | 3-iodo-N-[(1-methyl-1H-pyrazol-4-yl)methyl]aniline
CAS No: 1152555-91-3 Catalog No: AG01AWNM MDL No:MFCD10694900
Product Description
Catalog Number:
AG01AWNM
Chemical Name:
3-iodo-N-[(1-methyl-1H-pyrazol-4-yl)methyl]aniline
CAS Number:
1152555-91-3
Molecular Formula:
C11H12IN3
Molecular Weight:
313.1376
MDL Number:
MFCD10694900
IUPAC Name:
3-iodo-N-[(1-methylpyrazol-4-yl)methyl]aniline
InChI:
InChI=1S/C11H12IN3/c1-15-8-9(7-14-15)6-13-11-4-2-3-10(12)5-11/h2-5,7-8,13H,6H2,1H3
InChI Key:
GOLAXHRIBSNXIK-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1cnn(c1)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
313.142g/mol
Monoisotopic Mass:
313.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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