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262278-40-0 | Carbamic acid, N-(4-iodobutyl)-, 1,1-dimethylethyl ester
CAS No: 262278-40-0 Catalog No: AG002SCH MDL No:MFCD09951820
Product Description
Catalog Number:
AG002SCH
Chemical Name:
Carbamic acid, N-(4-iodobutyl)-, 1,1-dimethylethyl ester
CAS Number:
262278-40-0
Molecular Formula:
C9H18INO2
Molecular Weight:
299.1492
MDL Number:
MFCD09951820
IUPAC Name:
tert-butyl N-(4-iodobutyl)carbamate
InChI:
InChI=1S/C9H18INO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)
InChI Key:
KJMOGHNVYHTFRG-UHFFFAOYSA-N
SMILES:
ICCCCNC(=O)OC(C)(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.152g/mol
Monoisotopic Mass:
299.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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