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1353959-47-3 | 2-[Cyclopropyl-(2-iodo-benzyl)-amino]-ethanol
CAS No: 1353959-47-3 Catalog No: AG01FABB MDL No:
Product Description
Catalog Number:
AG01FABB
Chemical Name:
2-[Cyclopropyl-(2-iodo-benzyl)-amino]-ethanol
CAS Number:
1353959-47-3
Molecular Formula:
C12H16INO
Molecular Weight:
317.1660
IUPAC Name:
2-[cyclopropyl-[(2-iodophenyl)methyl]amino]ethanol
InChI:
InChI=1S/C12H16INO/c13-12-4-2-1-3-10(12)9-14(7-8-15)11-5-6-11/h1-4,11,15H,5-9H2
InChI Key:
WPKDDFNQTDMHFF-UHFFFAOYSA-N
SMILES:
OCCN(C1CC1)Cc1ccccc1I
Properties
Complexity:
196
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:
5
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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