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81712-05-2 | Benzene, 1-bromo-3-(2,2-dimethoxy-1-methylethyl)-
CAS No: 81712-05-2 Catalog No: AG0051BU MDL No:
Product Description
Catalog Number:
AG0051BU
Chemical Name:
Benzene, 1-bromo-3-(2,2-dimethoxy-1-methylethyl)-
CAS Number:
81712-05-2
Molecular Formula:
C11H15BrO2
Molecular Weight:
259.1396
IUPAC Name:
1-bromo-3-(1,1-dimethoxypropan-2-yl)benzene
InChI:
InChI=1S/C11H15BrO2/c1-8(11(13-2)14-3)9-5-4-6-10(12)7-9/h4-8,11H,1-3H3
InChI Key:
FNJCUTITSDUFGH-UHFFFAOYSA-N
SMILES:
COC(C(c1cccc(c1)Br)C)OC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.143g/mol
Monoisotopic Mass:
258.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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