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250609-60-0 | Phenol, 2-bromo-4-(2,3-dimethylnaphtho[2,3-b]furan-4-yl)-6-ethyl-
CAS No: 250609-60-0 Catalog No: AG002QB8 MDL No:
Product Description
Catalog Number:
AG002QB8
Chemical Name:
Phenol, 2-bromo-4-(2,3-dimethylnaphtho[2,3-b]furan-4-yl)-6-ethyl-
CAS Number:
250609-60-0
Molecular Formula:
C22H19BrO2
Molecular Weight:
395.2891
IUPAC Name:
2-bromo-4-(2,3-dimethylbenzo[f][1]benzofuran-4-yl)-6-ethylphenol
InChI:
InChI=1S/C22H19BrO2/c1-4-14-9-16(10-18(23)22(14)24)21-17-8-6-5-7-15(17)11-19-20(21)12(2)13(3)25-19/h5-11,24H,4H2,1-3H3
InChI Key:
LLFOKYWCITZTHK-UHFFFAOYSA-N
SMILES:
CCc1cc(cc(c1O)Br)c1c2ccccc2cc2c1c(C)c(o2)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.057g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.296g/mol
Monoisotopic Mass:
394.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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