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23094-30-6 | 2-Propenoic acid, 3-phenyl-, 2,2,2-tribromoethyl ester
CAS No: 23094-30-6 Catalog No: AG002M6U MDL No:
Product Description
Catalog Number:
AG002M6U
Chemical Name:
2-Propenoic acid, 3-phenyl-, 2,2,2-tribromoethyl ester
CAS Number:
23094-30-6
Molecular Formula:
C11H9Br3O2
Molecular Weight:
412.9000
IUPAC Name:
2,2,2-tribromoethyl 3-phenylprop-2-enoate
InChI:
InChI=1S/C11H9Br3O2/c12-11(13,14)8-16-10(15)7-6-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
YJAUVIXUFIWODD-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccccc1)OCC(Br)(Br)Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.813g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.903g/mol
Monoisotopic Mass:
409.815g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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