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116245-76-2 | Benzene, [2,2-dibromo-1-(dimethoxymethyl)ethenyl]-
CAS No: 116245-76-2 Catalog No: AG000C1H MDL No:
Product Description
Catalog Number:
AG000C1H
Chemical Name:
Benzene, [2,2-dibromo-1-(dimethoxymethyl)ethenyl]-
CAS Number:
116245-76-2
Molecular Formula:
C11H12Br2O2
Molecular Weight:
336.0198
IUPAC Name:
(1,1-dibromo-3,3-dimethoxyprop-1-en-2-yl)benzene
InChI:
InChI=1S/C11H12Br2O2/c1-14-11(15-2)9(10(12)13)8-6-4-3-5-7-8/h3-7,11H,1-2H3
InChI Key:
BJSUBTCYOVRQNX-UHFFFAOYSA-N
SMILES:
COC(C(=C(Br)Br)c1ccccc1)OC
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.918g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.023g/mol
Monoisotopic Mass:
333.92g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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