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262278-05-7 | (5-Iodo-pentyl)-carbamic acid tert-butyl ester
CAS No: 262278-05-7 Catalog No: AG00JQC1 MDL No:
Product Description
Catalog Number:
AG00JQC1
Chemical Name:
(5-Iodo-pentyl)-carbamic acid tert-butyl ester
CAS Number:
262278-05-7
Molecular Formula:
C10H20INO2
Molecular Weight:
313.1758
IUPAC Name:
tert-butyl N-(5-iodopentyl)carbamate
InChI:
InChI=1S/C10H20INO2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8H2,1-3H3,(H,12,13)
InChI Key:
ARXOWAUDEJFDNC-UHFFFAOYSA-N
SMILES:
ICCCCCNC(=O)OC(C)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.179g/mol
Monoisotopic Mass:
313.054g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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