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88558-38-7 | Carbamic acid, butyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS No: 88558-38-7 Catalog No: AG004C2Q MDL No:
Product Description
Catalog Number:
AG004C2Q
Chemical Name:
Carbamic acid, butyl-, 2-[(3-iodo-2-propynyl)oxy]ethyl ester
CAS Number:
88558-38-7
Molecular Formula:
C10H16INO3
Molecular Weight:
325.1434
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethyl N-butylcarbamate
InChI:
InChI=1S/C10H16INO3/c1-2-3-6-12-10(13)15-9-8-14-7-4-5-11/h2-3,6-9H2,1H3,(H,12,13)
InChI Key:
IFAIUTPXUGBKFY-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)OCCOCC#CI
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.146g/mol
Monoisotopic Mass:
325.017g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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