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138505-27-8 | Benzene, 4-bromo-2-methoxy-1-(1-methylethoxy)-
CAS No: 138505-27-8 Catalog No: AG0019B8 MDL No:
Product Description
Catalog Number:
AG0019B8
Chemical Name:
Benzene, 4-bromo-2-methoxy-1-(1-methylethoxy)-
CAS Number:
138505-27-8
Molecular Formula:
C10H13BrO2
Molecular Weight:
245.1130
IUPAC Name:
4-bromo-2-methoxy-1-propan-2-yloxybenzene
InChI:
InChI=1S/C10H13BrO2/c1-7(2)13-9-5-4-8(11)6-10(9)12-3/h4-7H,1-3H3
InChI Key:
HRFNLAXNVRSXPK-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1OC(C)C
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:
3.6
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