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90292-19-6

90292-19-6 | 2H-1,4-Benzoxazin-3(4H)-one, 2-[(2-methoxy-4-nitrophenyl)imino]-, (E)-

CAS No: 90292-19-6 Catalog No: AG006GM6 MDL No:

Product Description

Catalog Number:
AG006GM6
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 2-[(2-methoxy-4-nitrophenyl)imino]-, (E)-
CAS Number:
90292-19-6
Molecular Formula:
C15H11N3O5
Molecular Weight:
313.2649
IUPAC Name:
2-(2-methoxy-4-nitrophenyl)imino-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H11N3O5/c1-22-13-8-9(18(20)21)6-7-11(13)17-15-14(19)16-10-4-2-3-5-12(10)23-15/h2-8H,1H3,(H,16,19)
InChI Key:
CVDJEYQUFOKEOX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1/N=c\1/oc2ccccc2[nH]c1=O)[N+](=O)[O-]

Properties

Complexity:
504  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.07g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.269g/mol
Monoisotopic Mass:
313.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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