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26310-11-2 | 2-Propanol, 1-(4-bromophenoxy)-3-(2-propynyloxy)-, carbamate (9CI)
CAS No: 26310-11-2 Catalog No: AG002SNR MDL No:
Product Description
Catalog Number:
AG002SNR
Chemical Name:
2-Propanol, 1-(4-bromophenoxy)-3-(2-propynyloxy)-, carbamate (9CI)
CAS Number:
26310-11-2
Molecular Formula:
C13H14BrNO4
Molecular Weight:
328.1586
IUPAC Name:
[1-(4-bromophenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
InChI:
InChI=1S/C13H14BrNO4/c1-2-7-17-8-12(19-13(15)16)9-18-11-5-3-10(14)4-6-11/h1,3-6,12H,7-9H2,(H2,15,16)
InChI Key:
XMHLLHQSWQUNTQ-UHFFFAOYSA-N
SMILES:
C#CCOCC(OC(=O)N)COc1ccc(cc1)Br
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.162g/mol
Monoisotopic Mass:
327.011g/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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