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400045-79-6 | tert-butyl benzyl(4-iodobutyl)carbamate
CAS No: 400045-79-6 Catalog No: AG00C625 MDL No:MFCD08059841
Product Description
Catalog Number:
AG00C625
Chemical Name:
tert-butyl benzyl(4-iodobutyl)carbamate
CAS Number:
400045-79-6
Molecular Formula:
C16H24INO2
Molecular Weight:
389.2717
MDL Number:
MFCD08059841
IUPAC Name:
tert-butyl N-benzyl-N-(4-iodobutyl)carbamate
InChI:
InChI=1S/C16H24INO2/c1-16(2,3)20-15(19)18(12-8-7-11-17)13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3
InChI Key:
XODUGXDTYDHWBN-UHFFFAOYSA-N
SMILES:
ICCCCN(C(=O)OC(C)(C)C)Cc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.277g/mol
Monoisotopic Mass:
389.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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