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1108723-76-7 | tert-butyl N-[(1R)-1-[4-(iodomethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CAS No: 1108723-76-7 Catalog No: AG01ELYP MDL No:MFCD31617597
Product Description
Catalog Number:
AG01ELYP
Chemical Name:
tert-butyl N-[(1R)-1-[4-(iodomethyl)-1,3-oxazol-2-yl]ethyl]carbamate
CAS Number:
1108723-76-7
Molecular Formula:
C11H17IN2O3
Molecular Weight:
352.1687
MDL Number:
MFCD31617597
IUPAC Name:
tert-butyl N-[(1R)-1-[4-(iodomethyl)-1,3-oxazol-2-yl]ethyl]carbamate
InChI:
InChI=1S/C11H17IN2O3/c1-7(9-14-8(5-12)6-16-9)13-10(15)17-11(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)/t7-/m1/s1
InChI Key:
PEOASTQODDPYFY-SSDOTTSWSA-N
SMILES:
ICc1coc(n1)[C@H](NC(=O)OC(C)(C)C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
352.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.172g/mol
Monoisotopic Mass:
352.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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