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63497-60-9 | 8-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione
CAS No: 63497-60-9 Catalog No: AG003NI2 MDL No:MFCD06809785
Product Description
Catalog Number:
AG003NI2
Chemical Name:
8-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione
CAS Number:
63497-60-9
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
MDL Number:
MFCD06809785
IUPAC Name:
8-chloro-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4ClNO3/c9-5-3-1-2-4-6(5)10-8(12)13-7(4)11/h1-3H,(H,10,12)
InChI Key:
ORYNBDLURYDZFM-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c([nH]1)c(Cl)ccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.574g/mol
Monoisotopic Mass:
196.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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