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1007374-49-3 | Benzoic acid, 5-iodo-2-[(1-methylethyl)amino]-, methyl ester
CAS No: 1007374-49-3 Catalog No: AG0002QV MDL No:
Product Description
Catalog Number:
AG0002QV
Chemical Name:
Benzoic acid, 5-iodo-2-[(1-methylethyl)amino]-, methyl ester
CAS Number:
1007374-49-3
Molecular Formula:
C11H14INO2
Molecular Weight:
319.1388
IUPAC Name:
methyl 5-iodo-2-(propan-2-ylamino)benzoate
InChI:
InChI=1S/C11H14INO2/c1-7(2)13-10-5-4-8(12)6-9(10)11(14)15-3/h4-7,13H,1-3H3
InChI Key:
AAOSEWFKOUNZPM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)ccc1NC(C)C
Properties
Complexity:
221
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:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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