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16047-57-7 | Benzene, 4-bromo-1,2-bis(phenylmethoxy)-
CAS No: 16047-57-7 Catalog No: AG001RYD MDL No:MFCD00597549
Product Description
Catalog Number:
AG001RYD
Chemical Name:
Benzene, 4-bromo-1,2-bis(phenylmethoxy)-
CAS Number:
16047-57-7
Molecular Formula:
C20H17BrO2
Molecular Weight:
369.2518
MDL Number:
MFCD00597549
IUPAC Name:
4-bromo-1,2-bis(phenylmethoxy)benzene
InChI:
InChI=1S/C20H17BrO2/c21-18-11-12-19(22-14-16-7-3-1-4-8-16)20(13-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChI Key:
LBAPEDPREBPULC-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.041g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.258g/mol
Monoisotopic Mass:
368.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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