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130112-11-7 | Benzene, [(1Z)-2-bromo-3,3-diethoxy-1-propen-1-yl]-
CAS No: 130112-11-7 Catalog No: AG000U0B MDL No:
Product Description
Catalog Number:
AG000U0B
Chemical Name:
Benzene, [(1Z)-2-bromo-3,3-diethoxy-1-propen-1-yl]-
CAS Number:
130112-11-7
Molecular Formula:
C13H17BrO2
Molecular Weight:
285.1769
IUPAC Name:
(2-bromo-3,3-diethoxyprop-1-enyl)benzene
InChI:
InChI=1S/C13H17BrO2/c1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3
InChI Key:
WFVOVMWAKLZAMI-UHFFFAOYSA-N
SMILES:
CCOC(/C(=C/c1ccccc1)/Br)OCC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.181g/mol
Monoisotopic Mass:
284.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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