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177970-27-3 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 8-bromo-6-methyl-
CAS No: 177970-27-3 Catalog No: AG0025O6 MDL No:MFCD07439677
Product Description
Catalog Number:
AG0025O6
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 8-bromo-6-methyl-
CAS Number:
177970-27-3
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD07439677
IUPAC Name:
8-bromo-6-methyl-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C9H6BrNO3/c1-4-2-5-7(6(10)3-4)11-9(13)14-8(5)12/h2-3H,1H3,(H,11,13)
InChI Key:
XDPLOGJWYJBJGE-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c2c(c1)c(=O)oc(=O)[nH]2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.055g/mol
Monoisotopic Mass:
254.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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