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1217644-98-8 | Benzoic acid, 2-[(1S)-1-aminoethyl]-5-iodo-, methyl ester
CAS No: 1217644-98-8 Catalog No: AG0015UX MDL No:
Product Description
Catalog Number:
AG0015UX
Chemical Name:
Benzoic acid, 2-[(1S)-1-aminoethyl]-5-iodo-, methyl ester
CAS Number:
1217644-98-8
Molecular Formula:
C10H12INO2
Molecular Weight:
305.1123
IUPAC Name:
methyl 2-[(1S)-1-aminoethyl]-5-iodobenzoate
InChI:
InChI=1S/C10H12INO2/c1-6(12)8-4-3-7(11)5-9(8)10(13)14-2/h3-6H,12H2,1-2H3/t6-/m0/s1
InChI Key:
SGJQYHJXPGZOPH-LURJTMIESA-N
SMILES:
COC(=O)c1cc(I)ccc1[C@@H](N)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.115g/mol
Monoisotopic Mass:
304.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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