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30914-82-0 | 2H-1,3-Oxazine-2,4(3H)-dione, 6-chloro-3-methyl-
CAS No: 30914-82-0 Catalog No: AG0031N3 MDL No:
Product Description
Catalog Number:
AG0031N3
Chemical Name:
2H-1,3-Oxazine-2,4(3H)-dione, 6-chloro-3-methyl-
CAS Number:
30914-82-0
Molecular Formula:
C5H4ClNO3
Molecular Weight:
161.5432
IUPAC Name:
6-chloro-3-methyl-1,3-oxazine-2,4-dione
InChI:
InChI=1S/C5H4ClNO3/c1-7-4(8)2-3(6)10-5(7)9/h2H,1H3
InChI Key:
OCBSPBYEEMYMEO-UHFFFAOYSA-N
SMILES:
Clc1cc(=O)n(c(=O)o1)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.541g/mol
Monoisotopic Mass:
160.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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