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880256-11-1 | N-benzyl-3-iodoaniline
CAS No: 880256-11-1 Catalog No: AG01AWNL MDL No:MFCD11181172
Product Description
Catalog Number:
AG01AWNL
Chemical Name:
N-benzyl-3-iodoaniline
CAS Number:
880256-11-1
Molecular Formula:
C13H12IN
Molecular Weight:
309.1456
MDL Number:
MFCD11181172
IUPAC Name:
N-benzyl-3-iodoaniline
InChI:
InChI=1S/C13H12IN/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChI Key:
PJIHBBXPQNLKGV-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.15g/mol
Monoisotopic Mass:
309.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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