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114605-42-4 | Benzene, 1-bromo-2,4-dimethoxy-3-(1-methylethoxy)-
CAS No: 114605-42-4 Catalog No: AG000ESF MDL No:
Product Description
Catalog Number:
AG000ESF
Chemical Name:
Benzene, 1-bromo-2,4-dimethoxy-3-(1-methylethoxy)-
CAS Number:
114605-42-4
Molecular Formula:
C11H15BrO3
Molecular Weight:
275.1390
IUPAC Name:
1-bromo-2,4-dimethoxy-3-propan-2-yloxybenzene
InChI:
InChI=1S/C11H15BrO3/c1-7(2)15-11-9(13-3)6-5-8(12)10(11)14-4/h5-7H,1-4H3
InChI Key:
BPCFAIVHGPTGHQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC(C)C)OC)Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.142g/mol
Monoisotopic Mass:
274.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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