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69742-25-2 | 2,4-Pentadienoic acid, 5-phenyl-, 2-bromoethyl ester
CAS No: 69742-25-2 Catalog No: AG005ICW MDL No:
Product Description
Catalog Number:
AG005ICW
Chemical Name:
2,4-Pentadienoic acid, 5-phenyl-, 2-bromoethyl ester
CAS Number:
69742-25-2
Molecular Formula:
C13H13BrO2
Molecular Weight:
281.1451
IUPAC Name:
2-bromoethyl 5-phenylpenta-2,4-dienoate
InChI:
InChI=1S/C13H13BrO2/c14-10-11-16-13(15)9-5-4-8-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
ZEEGQZQXZPWZQA-UHFFFAOYSA-N
SMILES:
BrCCOC(=O)C=CC=Cc1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.149g/mol
Monoisotopic Mass:
280.01g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.6
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