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16737-87-4 | Acetic acid, 2-(4-bromophenoxy)-, 2-(diethylamino)ethyl ester
CAS No: 16737-87-4 Catalog No: AG001XC7 MDL No:
Product Description
Catalog Number:
AG001XC7
Chemical Name:
Acetic acid, 2-(4-bromophenoxy)-, 2-(diethylamino)ethyl ester
CAS Number:
16737-87-4
Molecular Formula:
C14H20BrNO3
Molecular Weight:
330.2175
IUPAC Name:
2-(diethylamino)ethyl 2-(4-bromophenoxy)acetate
InChI:
InChI=1S/C14H20BrNO3/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChI Key:
RPLWTHIEEDQPCO-UHFFFAOYSA-N
SMILES:
CCN(CCOC(=O)COc1ccc(cc1)Br)CC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.222g/mol
Monoisotopic Mass:
329.063g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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