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114011-31-3 | 2,2'-Bibenzoxazole, 2,2',3,3'-tetrahydro-4,4'-dimethyl-
CAS No: 114011-31-3 Catalog No: AG000AAL MDL No:
Product Description
Catalog Number:
AG000AAL
Chemical Name:
2,2'-Bibenzoxazole, 2,2',3,3'-tetrahydro-4,4'-dimethyl-
CAS Number:
114011-31-3
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
4-methyl-2-(4-methyl-2,3-dihydro-1,3-benzoxazol-2-yl)-2,3-dihydro-1,3-benzoxazole
InChI:
InChI=1S/C16H16N2O2/c1-9-5-3-7-11-13(9)17-15(19-11)16-18-14-10(2)6-4-8-12(14)20-16/h3-8,15-18H,1-2H3
InChI Key:
PBBPXZKLJXNMBH-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1NC(O2)C1Oc2c(N1)c(C)ccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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