6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid


Chemical Name: 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid
CAS Number: 123040-79-9
Product Number: AG000JZL(AGN-PC-002I0L)
Synonyms:
MDL No:
Molecular Formula: C10H8ClNO4
Molecular Weight: 241.6278

Identification/Properties


Computed Properties
Molecular Weight:
241.627g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
241.014g/mol
Monoisotopic Mass:
241.014g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
322
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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