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1138444-20-8 | Carbamic acid, N-[(4-iodo-5-methoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1138444-20-8 Catalog No: AG0009UL MDL No:MFCD11857692
Product Description
Catalog Number:
AG0009UL
Chemical Name:
Carbamic acid, N-[(4-iodo-5-methoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1138444-20-8
Molecular Formula:
C12H17IN2O3
Molecular Weight:
364.1794
MDL Number:
MFCD11857692
IUPAC Name:
tert-butyl N-[(4-iodo-5-methoxypyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C12H17IN2O3/c1-12(2,3)18-11(16)15-6-8-5-14-7-9(17-4)10(8)13/h5,7H,6H2,1-4H3,(H,15,16)
InChI Key:
ZIIORNOJVCUHCR-UHFFFAOYSA-N
SMILES:
COc1cncc(c1I)CNC(=O)OC(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.183g/mol
Monoisotopic Mass:
364.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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