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205877-96-9 | tert-butyl (3-iodo-4-oxocyclohex-2-en-1-yl)carbamate
CAS No: 205877-96-9 Catalog No: AG01DFI6 MDL No:
Product Description
Catalog Number:
AG01DFI6
Chemical Name:
tert-butyl (3-iodo-4-oxocyclohex-2-en-1-yl)carbamate
CAS Number:
205877-96-9
Molecular Formula:
C11H16INO3
Molecular Weight:
337.1541
IUPAC Name:
tert-butyl N-(3-iodo-4-oxocyclohex-2-en-1-yl)carbamate
InChI:
InChI=1S/C11H16INO3/c1-11(2,3)16-10(15)13-7-4-5-9(14)8(12)6-7/h6-7H,4-5H2,1-3H3,(H,13,15)
InChI Key:
CPCNGHYSAZBCFA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCC(=O)C(=C1)I
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.157g/mol
Monoisotopic Mass:
337.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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