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55406-56-9 | N,N'-Hexamethylenebis(carbamic acid 3-iodo-2-propynyl) ester
CAS No: 55406-56-9 Catalog No: AG00E5F1 MDL No:
Product Description
Catalog Number:
AG00E5F1
Chemical Name:
N,N'-Hexamethylenebis(carbamic acid 3-iodo-2-propynyl) ester
CAS Number:
55406-56-9
IUPAC Name:
3-iodoprop-2-ynyl N-[6-(3-iodoprop-2-ynoxycarbonylamino)hexyl]carbamate
InChI:
InChI=1S/C14H18I2N2O4/c15-7-5-11-21-13(19)17-9-3-1-2-4-10-18-14(20)22-12-6-8-16/h1-4,9-12H2,(H,17,19)(H,18,20)
InChI Key:
QVKFOIYWSPUKGG-UHFFFAOYSA-N
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.936g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
532.117g/mol
Monoisotopic Mass:
531.936g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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