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129969-69-3 | Benzene, 1-bromo-4-(2,2-dimethoxyethoxy)-
CAS No: 129969-69-3 Catalog No: AG000TTV MDL No:MFCD12198858
Product Description
Catalog Number:
AG000TTV
Chemical Name:
Benzene, 1-bromo-4-(2,2-dimethoxyethoxy)-
CAS Number:
129969-69-3
Molecular Formula:
C10H13BrO3
Molecular Weight:
261.1124
MDL Number:
MFCD12198858
IUPAC Name:
1-bromo-4-(2,2-dimethoxyethoxy)benzene
InChI:
InChI=1S/C10H13BrO3/c1-12-10(13-2)7-14-9-5-3-8(11)4-6-9/h3-6,10H,7H2,1-2H3
InChI Key:
WXIGTAGGJARPTF-UHFFFAOYSA-N
SMILES:
COC(COc1ccc(cc1)Br)OC
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.005g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.115g/mol
Monoisotopic Mass:
260.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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