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190074-19-2 | 2(3H)-Benzoxazolone, 6,6'-carbonylbis[3-(phenylmethyl)- (9CI)
CAS No: 190074-19-2 Catalog No: AG002EBK MDL No:
Product Description
Catalog Number:
AG002EBK
Chemical Name:
2(3H)-Benzoxazolone, 6,6'-carbonylbis[3-(phenylmethyl)- (9CI)
CAS Number:
190074-19-2
Molecular Formula:
C29H20N2O5
Molecular Weight:
476.4795
IUPAC Name:
3-benzyl-6-(3-benzyl-2-oxo-1,3-benzoxazole-6-carbonyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C29H20N2O5/c32-27(21-11-13-23-25(15-21)35-28(33)30(23)17-19-7-3-1-4-8-19)22-12-14-24-26(16-22)36-29(34)31(24)18-20-9-5-2-6-10-20/h1-16H,17-18H2
InChI Key:
PKGVVMPOWWFWIV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)oc(=O)n2Cc1ccccc1)c1ccc2c(c1)oc(=O)n2Cc1ccccc1
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.137g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.488g/mol
Monoisotopic Mass:
476.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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