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30482-74-7 | 2H-1,3-Benzoxazine-2-carboxylic acid, 6-bromo-3,4-dihydro-4-oxo-
CAS No: 30482-74-7 Catalog No: AG0030AG MDL No:
Product Description
Catalog Number:
AG0030AG
Chemical Name:
2H-1,3-Benzoxazine-2-carboxylic acid, 6-bromo-3,4-dihydro-4-oxo-
CAS Number:
30482-74-7
Molecular Formula:
C9H6BrNO4
Molecular Weight:
272.0522
IUPAC Name:
6-bromo-4-oxo-2,3-dihydro-1,3-benzoxazine-2-carboxylic acid
InChI:
InChI=1S/C9H6BrNO4/c10-4-1-2-6-5(3-4)7(12)11-8(15-6)9(13)14/h1-3,8H,(H,11,12)(H,13,14)
InChI Key:
PAXVDJLNFSFAGR-UHFFFAOYSA-N
SMILES:
OC(=O)C1NC(=O)c2c(O1)ccc(c2)Br
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.054g/mol
Monoisotopic Mass:
270.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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