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Home > Bromides > 1235566-57-0
1235566-57-0 | Benzene, 1-bromo-3-methoxy-5-(1-methylethoxy)-
CAS No: 1235566-57-0 Catalog No: AG000KSI MDL No:MFCD22205811
Product Description
Catalog Number:
AG000KSI
Chemical Name:
Benzene, 1-bromo-3-methoxy-5-(1-methylethoxy)-
CAS Number:
1235566-57-0
Molecular Formula:
C10H13BrO2
Molecular Weight:
245.1130
MDL Number:
MFCD22205811
IUPAC Name:
1-bromo-3-methoxy-5-propan-2-yloxybenzene
InChI:
InChI=1S/C10H13BrO2/c1-7(2)13-10-5-8(11)4-9(6-10)12-3/h4-7H,1-3H3
InChI Key:
GKGXESSGXPZELQ-UHFFFAOYSA-N
SMILES:
COc1cc(OC(C)C)cc(c1)Br
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.116g/mol
Monoisotopic Mass:
244.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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