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1039911-37-9 | 3-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
CAS No: 1039911-37-9 Catalog No: AG01AYG0 MDL No:MFCD11194226
Product Description
Catalog Number:
AG01AYG0
Chemical Name:
3-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
CAS Number:
1039911-37-9
Molecular Formula:
C12H12INO
Molecular Weight:
313.1342
MDL Number:
MFCD11194226
IUPAC Name:
3-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
InChI:
InChI=1S/C12H12INO/c1-9-5-6-12(15-9)8-14-11-4-2-3-10(13)7-11/h2-7,14H,8H2,1H3
InChI Key:
SLFLBXQDJKGORT-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1ccc(o1)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:
312.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.138g/mol
Monoisotopic Mass:
312.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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