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2137647-97-1 | tert-butyl N-[2-hydroxy-1-(2-iodophenyl)ethyl]carbamate
CAS No: 2137647-97-1 Catalog No: AG01EMRE MDL No:MFCD31456940
Product Description
Catalog Number:
AG01EMRE
Chemical Name:
tert-butyl N-[2-hydroxy-1-(2-iodophenyl)ethyl]carbamate
CAS Number:
2137647-97-1
Molecular Formula:
C13H18INO3
Molecular Weight:
363.1914
MDL Number:
MFCD31456940
IUPAC Name:
tert-butyl N-[2-hydroxy-1-(2-iodophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H18INO3/c1-13(2,3)18-12(17)15-11(8-16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17)
InChI Key:
PTZBJLZATWPQEX-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1I)NC(=O)OC(C)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.195g/mol
Monoisotopic Mass:
363.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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