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1152555-97-9 | 3-iodo-N-(pyridin-4-ylmethyl)aniline
CAS No: 1152555-97-9 Catalog No: AG01AWNN MDL No:MFCD10688773
Product Description
Catalog Number:
AG01AWNN
Chemical Name:
3-iodo-N-(pyridin-4-ylmethyl)aniline
CAS Number:
1152555-97-9
Molecular Formula:
C12H11IN2
Molecular Weight:
310.1336
MDL Number:
MFCD10688773
IUPAC Name:
3-iodo-N-(pyridin-4-ylmethyl)aniline
InChI:
InChI=1S/C12H11IN2/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-8,15H,9H2
InChI Key:
SBJLTXGZUPIXAJ-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1ccncc1
Properties
Complexity:
181
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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