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162709-20-8 | Carbamic acid, (4-iodo-2-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
CAS No: 162709-20-8 Catalog No: AG001TCW MDL No:MFCD22200465
Product Description
Catalog Number:
AG001TCW
Chemical Name:
Carbamic acid, (4-iodo-2-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
162709-20-8
Molecular Formula:
C11H15IN2O3
Molecular Weight:
350.1529
MDL Number:
MFCD22200465
IUPAC Name:
tert-butyl N-(4-iodo-2-methoxypyridin-3-yl)carbamate
InChI:
InChI=1S/C11H15IN2O3/c1-11(2,3)17-10(15)14-8-7(12)5-6-13-9(8)16-4/h5-6H,1-4H3,(H,14,15)
InChI Key:
ILBYCZBMTFARSV-UHFFFAOYSA-N
SMILES:
COc1nccc(c1NC(=O)OC(C)(C)C)I
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.156g/mol
Monoisotopic Mass:
350.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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