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144707-40-4 | Benzene, 1-bromo-2,4,5-trimethoxy-3-(1-methylethyl)-
CAS No: 144707-40-4 Catalog No: AG001K1G MDL No:
Product Description
Catalog Number:
AG001K1G
Chemical Name:
Benzene, 1-bromo-2,4,5-trimethoxy-3-(1-methylethyl)-
CAS Number:
144707-40-4
Molecular Formula:
C12H17BrO3
Molecular Weight:
289.1656
IUPAC Name:
1-bromo-2,4,5-trimethoxy-3-propan-2-ylbenzene
InChI:
InChI=1S/C12H17BrO3/c1-7(2)10-11(15-4)8(13)6-9(14-3)12(10)16-5/h6-7H,1-5H3
InChI Key:
RHKJHHQZQROKIY-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1OC)C(C)C)OC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.169g/mol
Monoisotopic Mass:
288.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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