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1340319-03-0 | 3-iodo-N-(pyrimidin-5-ylmethyl)aniline
CAS No: 1340319-03-0 Catalog No: AG01AV6L MDL No:MFCD16864967
Product Description
Catalog Number:
AG01AV6L
Chemical Name:
3-iodo-N-(pyrimidin-5-ylmethyl)aniline
CAS Number:
1340319-03-0
Molecular Formula:
C11H10IN3
Molecular Weight:
311.1217
MDL Number:
MFCD16864967
IUPAC Name:
3-iodo-N-(pyrimidin-5-ylmethyl)aniline
InChI:
InChI=1S/C11H10IN3/c12-10-2-1-3-11(4-10)15-7-9-5-13-8-14-6-9/h1-6,8,15H,7H2
InChI Key:
XHSKYVMGDJGUIE-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1cncnc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.126g/mol
Monoisotopic Mass:
310.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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