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19165-25-4 | 4H-3,1-Benzoxazin-4-one, 6-bromo-2-methyl-
CAS No: 19165-25-4 Catalog No: AG002FEN MDL No:MFCD00115891
Product Description
Catalog Number:
AG002FEN
Chemical Name:
4H-3,1-Benzoxazin-4-one, 6-bromo-2-methyl-
CAS Number:
19165-25-4
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00115891
IUPAC Name:
6-bromo-2-methyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C9H6BrNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
InChI Key:
JCRULBKTDUOWMP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)oc(n2)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| New 6-Bromo-2-Methyl-3-(Substituted Phenyl)-(3H)-Quinazolin-4-Ones with Antimicrobial and Antiinflammatory Activities. | Indian journal of pharmaceutical sciences 20110101 |
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