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13260-76-9

13260-76-9 | 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4-phenyl-

CAS No: 13260-76-9 Catalog No: AG0010VH MDL No:

Product Description

Catalog Number:
AG0010VH
Chemical Name:
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-4-phenyl-
CAS Number:
13260-76-9
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
IUPAC Name:
4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one
InChI:
InChI=1S/C14H11NO2/c16-14-15-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9,13H,(H,15,16)
InChI Key:
FBEMUXLHFRBHHA-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C(O1)c1ccccc1

Properties

Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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