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52981-88-1 | [4-[[4-(Benzoxazol-2-yl)phenyl]methoxy]-2-hydroxyphenyl]phenylmethanone
CAS No: 52981-88-1 Catalog No: AG00DOBJ MDL No:
Product Description
Catalog Number:
AG00DOBJ
Chemical Name:
[4-[[4-(Benzoxazol-2-yl)phenyl]methoxy]-2-hydroxyphenyl]phenylmethanone
CAS Number:
52981-88-1
IUPAC Name:
[4-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-hydroxyphenyl]-phenylmethanone
InChI:
InChI=1S/C27H19NO4/c29-24-16-21(14-15-22(24)26(30)19-6-2-1-3-7-19)31-17-18-10-12-20(13-11-18)27-28-23-8-4-5-9-25(23)32-27/h1-16,29H,17H2
InChI Key:
ZKDCTCNNNKEFDY-UHFFFAOYSA-N
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.131g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.452g/mol
Monoisotopic Mass:
421.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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