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72571-02-9

72571-02-9 | Carbamic acid, propyl-, 3-iodo-2-propynyl ester

CAS No: 72571-02-9 Catalog No: AG005G2M MDL No:

Product Description

Catalog Number:
AG005G2M
Chemical Name:
Carbamic acid, propyl-, 3-iodo-2-propynyl ester
CAS Number:
72571-02-9
Molecular Formula:
C7H10INO2
Molecular Weight:
267.0643
IUPAC Name:
3-iodoprop-2-ynyl N-propylcarbamate
InChI:
InChI=1S/C7H10INO2/c1-2-5-9-7(10)11-6-3-4-8/h2,5-6H2,1H3,(H,9,10)
InChI Key:
QLQVTNABWDPQTK-UHFFFAOYSA-N
SMILES:
CCCNC(=O)OCC#CI

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.976g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.066g/mol
Monoisotopic Mass:
266.976g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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