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20829-96-3 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 5-chloro-
CAS No: 20829-96-3 Catalog No: AG002JMF MDL No:MFCD09032504
Product Description
Catalog Number:
AG002JMF
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 5-chloro-
CAS Number:
20829-96-3
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
MDL Number:
MFCD09032504
IUPAC Name:
5-chloro-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4ClNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)
InChI Key:
NIGOFAVNIBBNJV-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c([nH]1)cccc2Cl
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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