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17799-96-1

17799-96-1 | 1H-2,3-Benzoxazine, 4-phenyl-

CAS No: 17799-96-1 Catalog No: AG0025P9 MDL No:

Product Description

Catalog Number:
AG0025P9
Chemical Name:
1H-2,3-Benzoxazine, 4-phenyl-
CAS Number:
17799-96-1
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
4-phenyl-1H-2,3-benzoxazine
InChI:
InChI=1S/C14H11NO/c1-2-6-11(7-3-1)14-13-9-5-4-8-12(13)10-16-15-14/h1-9H,10H2
InChI Key:
MWLKKCRDRIEGLU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NOCc2c1cccc2
NSC Number:
111349

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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