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1353961-66-6 | [Ethyl-(2-iodo-benzyl)-amino]-acetic acid
CAS No: 1353961-66-6 Catalog No: AG01FBKY MDL No:
Product Description
Catalog Number:
AG01FBKY
Chemical Name:
[Ethyl-(2-iodo-benzyl)-amino]-acetic acid
CAS Number:
1353961-66-6
Molecular Formula:
C11H14INO2
Molecular Weight:
319.1388
IUPAC Name:
2-[ethyl-[(2-iodophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C11H14INO2/c1-2-13(8-11(14)15)7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3,(H,14,15)
InChI Key:
QTPOTIOYXMZZIM-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccccc1I)CC(=O)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.142g/mol
Monoisotopic Mass:
319.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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