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89433-44-3 | 2H-3,1-Benzoxazin-2-one, 6-(4-chlorobutoxy)-1,4-dihydro-4,4-diphenyl-
CAS No: 89433-44-3 Catalog No: AG004421 MDL No:
Product Description
Catalog Number:
AG004421
Chemical Name:
2H-3,1-Benzoxazin-2-one, 6-(4-chlorobutoxy)-1,4-dihydro-4,4-diphenyl-
CAS Number:
89433-44-3
Molecular Formula:
C24H22ClNO3
Molecular Weight:
407.8894
IUPAC Name:
6-(4-chlorobutoxy)-4,4-diphenyl-1H-3,1-benzoxazin-2-one
InChI:
InChI=1S/C24H22ClNO3/c25-15-7-8-16-28-20-13-14-22-21(17-20)24(29-23(27)26-22,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-14,17H,7-8,15-16H2,(H,26,27)
InChI Key:
ZEHLOWCZHUAOMB-UHFFFAOYSA-N
SMILES:
ClCCCCOc1ccc2c(c1)C(OC(=O)N2)(c1ccccc1)c1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.129g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.894g/mol
Monoisotopic Mass:
407.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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