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26309-86-4 | 2-Propanol, 1-(2-chlorophenoxy)-3-(2-propynyloxy)-, carbamate (9CI)
CAS No: 26309-86-4 Catalog No: AG002SNV MDL No:
Product Description
Catalog Number:
AG002SNV
Chemical Name:
2-Propanol, 1-(2-chlorophenoxy)-3-(2-propynyloxy)-, carbamate (9CI)
CAS Number:
26309-86-4
Molecular Formula:
C13H14ClNO4
Molecular Weight:
283.7076
IUPAC Name:
[1-(2-chlorophenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
InChI:
InChI=1S/C13H14ClNO4/c1-2-7-17-8-10(19-13(15)16)9-18-12-6-4-3-5-11(12)14/h1,3-6,10H,7-9H2,(H2,15,16)
InChI Key:
XHOVTZORFHMRMM-UHFFFAOYSA-N
SMILES:
C#CCOCC(OC(=O)N)COc1ccccc1Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.708g/mol
Monoisotopic Mass:
283.061g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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