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88987-35-3 | Phenol, 3,6-bis(2-benzoxazolyl)-2-methoxy-
CAS No: 88987-35-3 Catalog No: AG0046HU MDL No:
Product Description
Catalog Number:
AG0046HU
Chemical Name:
Phenol, 3,6-bis(2-benzoxazolyl)-2-methoxy-
CAS Number:
88987-35-3
Molecular Formula:
C21H14N2O4
Molecular Weight:
358.3469
IUPAC Name:
3,6-bis(1,3-benzoxazol-2-yl)-2-methoxyphenol
InChI:
InChI=1S/C21H14N2O4/c1-25-19-13(21-23-15-7-3-5-9-17(15)27-21)11-10-12(18(19)24)20-22-14-6-2-4-8-16(14)26-20/h2-11,24H,1H3
InChI Key:
WZGGGPMMVYDEPJ-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1O)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.095g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.353g/mol
Monoisotopic Mass:
358.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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