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88978-49-8 | 1,2-Benzenediol, 3,6-bis(2-benzoxazolyl)-
CAS No: 88978-49-8 Catalog No: AG00454Q MDL No:
Product Description
Catalog Number:
AG00454Q
Chemical Name:
1,2-Benzenediol, 3,6-bis(2-benzoxazolyl)-
CAS Number:
88978-49-8
Molecular Formula:
C20H12N2O4
Molecular Weight:
344.3203
IUPAC Name:
3,6-bis(1,3-benzoxazol-2-yl)benzene-1,2-diol
InChI:
InChI=1S/C20H12N2O4/c23-17-11(19-21-13-5-1-3-7-15(13)25-19)9-10-12(18(17)24)20-22-14-6-2-4-8-16(14)26-20/h1-10,23-24H
InChI Key:
DMZTUZLOEVIZMH-UHFFFAOYSA-N
SMILES:
Oc1c(ccc(c1O)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.326g/mol
Monoisotopic Mass:
344.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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