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117081-59-1 | Benzene, 1-bromo-4-[1-[(phenylthio)methyl]ethenyl]-
CAS No: 117081-59-1 Catalog No: AG000DOO MDL No:
Product Description
Catalog Number:
AG000DOO
Chemical Name:
Benzene, 1-bromo-4-[1-[(phenylthio)methyl]ethenyl]-
CAS Number:
117081-59-1
Molecular Formula:
C15H13BrS
Molecular Weight:
305.2327
IUPAC Name:
1-bromo-4-(3-phenylsulfanylprop-1-en-2-yl)benzene
InChI:
InChI=1S/C15H13BrS/c1-12(13-7-9-14(16)10-8-13)11-17-15-5-3-2-4-6-15/h2-10H,1,11H2
InChI Key:
AKOABTRYHPMUAC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=C)CSc1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.233g/mol
Monoisotopic Mass:
303.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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