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121564-97-4 | 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-8-methyl-
CAS No: 121564-97-4 Catalog No: AG0015AE MDL No:MFCD09835005
Product Description
Catalog Number:
AG0015AE
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-8-methyl-
CAS Number:
121564-97-4
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD09835005
IUPAC Name:
6-bromo-8-methyl-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H8BrNO2/c1-5-2-6(10)3-7-9(5)13-4-8(12)11-7/h2-3H,4H2,1H3,(H,11,12)
InChI Key:
PLKXHZTWQITWFD-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2C)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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