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1274587-40-4 | 3-iodo-N-(oxan-4-ylmethyl)aniline
CAS No: 1274587-40-4 Catalog No: AG01B112 MDL No:MFCD16747603
Product Description
Catalog Number:
AG01B112
Chemical Name:
3-iodo-N-(oxan-4-ylmethyl)aniline
CAS Number:
1274587-40-4
Molecular Formula:
C12H16INO
Molecular Weight:
317.1660
MDL Number:
MFCD16747603
IUPAC Name:
3-iodo-N-(oxan-4-ylmethyl)aniline
InChI:
InChI=1S/C12H16INO/c13-11-2-1-3-12(8-11)14-9-10-4-6-15-7-5-10/h1-3,8,10,14H,4-7,9H2
InChI Key:
FZTOLTITUXBOLQ-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCC1CCOCC1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.17g/mol
Monoisotopic Mass:
317.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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