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260437-89-6 | 2-Propenoic acid, 3-(4-broMophenyl)-, 2-phenylethyl ester
CAS No: 260437-89-6 Catalog No: AG002RHU MDL No:
Product Description
Catalog Number:
AG002RHU
Chemical Name:
2-Propenoic acid, 3-(4-broMophenyl)-, 2-phenylethyl ester
CAS Number:
260437-89-6
Molecular Formula:
C17H15BrO2
Molecular Weight:
331.2038
IUPAC Name:
2-phenylethyl 3-(4-bromophenyl)prop-2-enoate
InChI:
InChI=1S/C17H15BrO2/c18-16-9-6-15(7-10-16)8-11-17(19)20-13-12-14-4-2-1-3-5-14/h1-11H,12-13H2
InChI Key:
KCTVPRYIXSZRCZ-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccc(cc1)Br)OCCc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.209g/mol
Monoisotopic Mass:
330.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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