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113841-12-6 | 2-Propenoic acid, 3-(3,5-dibromophenoxy)-2-hydroxypropyl ester
CAS No: 113841-12-6 Catalog No: AG0009U4 MDL No:
Product Description
Catalog Number:
AG0009U4
Chemical Name:
2-Propenoic acid, 3-(3,5-dibromophenoxy)-2-hydroxypropyl ester
CAS Number:
113841-12-6
Molecular Formula:
C12H12Br2O4
Molecular Weight:
380.0293
IUPAC Name:
[3-(3,5-dibromophenoxy)-2-hydroxypropyl] prop-2-enoate
InChI:
InChI=1S/C12H12Br2O4/c1-2-12(16)18-7-10(15)6-17-11-4-8(13)3-9(14)5-11/h2-5,10,15H,1,6-7H2
InChI Key:
DCYKZXLUZCTILX-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCC(COc1cc(Br)cc(c1)Br)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.908g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.032g/mol
Monoisotopic Mass:
377.91g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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