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1353951-78-6 | [(2-Iodo-benzyl)-methyl-amino]-acetic acid
CAS No: 1353951-78-6 Catalog No: AG01FB8U MDL No:
Product Description
Catalog Number:
AG01FB8U
Chemical Name:
[(2-Iodo-benzyl)-methyl-amino]-acetic acid
CAS Number:
1353951-78-6
Molecular Formula:
C10H12INO2
Molecular Weight:
305.1123
IUPAC Name:
2-[(2-iodophenyl)methyl-methylamino]acetic acid
InChI:
InChI=1S/C10H12INO2/c1-12(7-10(13)14)6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,13,14)
InChI Key:
DBRMVQMIODTSBY-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1I)CC(=O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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