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1152526-48-1 | 3-iodo-N-(pyridin-3-ylmethyl)aniline
CAS No: 1152526-48-1 Catalog No: AG01AXIB MDL No:MFCD10690298
Product Description
Catalog Number:
AG01AXIB
Chemical Name:
3-iodo-N-(pyridin-3-ylmethyl)aniline
CAS Number:
1152526-48-1
Molecular Formula:
C12H11IN2
Molecular Weight:
310.1336
MDL Number:
MFCD10690298
IUPAC Name:
3-iodo-N-(pyridin-3-ylmethyl)aniline
InChI:
InChI=1S/C12H11IN2/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2
InChI Key:
XVNMRTBCYIVICK-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1cccnc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.138g/mol
Monoisotopic Mass:
309.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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