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1196157-32-0

1196157-32-0 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 5,8-difluoro-

CAS No: 1196157-32-0 Catalog No: AG000PDB MDL No:

Product Description

Catalog Number:
AG000PDB
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 5,8-difluoro-
CAS Number:
1196157-32-0
Molecular Formula:
C8H3F2NO3
Molecular Weight:
199.1111
IUPAC Name:
5,8-difluoro-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H3F2NO3/c9-3-1-2-4(10)6-5(3)7(12)14-8(13)11-6/h1-2H,(H,11,13)
InChI Key:
JUYMFZGKBRZQPM-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c([nH]1)c(F)ccc2F

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.008g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.113g/mol
Monoisotopic Mass:
199.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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