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121564-96-3 | 2H-1,4-BENZOXAZIN-3(4H)-ONE, 6-BROMO-8-CHLORO-
CAS No: 121564-96-3 Catalog No: AG0015AF MDL No:MFCD09835007
Product Description
Catalog Number:
AG0015AF
Chemical Name:
2H-1,4-BENZOXAZIN-3(4H)-ONE, 6-BROMO-8-CHLORO-
CAS Number:
121564-96-3
Molecular Formula:
C8H5BrClNO2
Molecular Weight:
262.4878
MDL Number:
MFCD09835007
IUPAC Name:
6-bromo-8-chloro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C8H5BrClNO2/c9-4-1-5(10)8-6(2-4)11-7(12)3-13-8/h1-2H,3H2,(H,11,12)
InChI Key:
HARMFWNFNHJNIM-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2Cl)Br
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.919g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.487g/mol
Monoisotopic Mass:
260.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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