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73372-76-6 | 4H-1,3-Benzoxazin-4-one, 8-methyl-2-[4-(phenylmethoxy)phenoxy]-
CAS No: 73372-76-6 Catalog No: AG005EMI MDL No:
Product Description
Catalog Number:
AG005EMI
Chemical Name:
4H-1,3-Benzoxazin-4-one, 8-methyl-2-[4-(phenylmethoxy)phenoxy]-
CAS Number:
73372-76-6
Molecular Formula:
C22H17NO4
Molecular Weight:
359.3747
IUPAC Name:
8-methyl-2-(4-phenylmethoxyphenoxy)-1,3-benzoxazin-4-one
InChI:
InChI=1S/C22H17NO4/c1-15-6-5-9-19-20(15)27-22(23-21(19)24)26-18-12-10-17(11-13-18)25-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChI Key:
ZMRBRKHQLGFZBD-UHFFFAOYSA-N
SMILES:
O=c1nc(Oc2ccc(cc2)OCc2ccccc2)oc2c1cccc2C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.116g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.381g/mol
Monoisotopic Mass:
359.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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