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144675-56-9 | Carbamic acid, N-ethyl-, 3-bromo-2,3-diiodo-2-propen-1-yl ester
CAS No: 144675-56-9 Catalog No: AG001JZ1 MDL No:
Product Description
Catalog Number:
AG001JZ1
Chemical Name:
Carbamic acid, N-ethyl-, 3-bromo-2,3-diiodo-2-propen-1-yl ester
CAS Number:
144675-56-9
Molecular Formula:
C6H8BrI2NO2
Molecular Weight:
459.8462
IUPAC Name:
(3-bromo-2,3-diiodoprop-2-enyl) N-ethylcarbamate
InChI:
InChI=1S/C6H8BrI2NO2/c1-2-10-6(11)12-3-4(8)5(7)9/h2-3H2,1H3,(H,10,11)
InChI Key:
YRBKVYCRVUUJBW-UHFFFAOYSA-N
SMILES:
CCNC(=O)OCC(=C(I)Br)I
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.783g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
459.848g/mol
Monoisotopic Mass:
458.783g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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