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Home > Bromides > 1260778-66-2
1260778-66-2 | 2H-1,4-Benzoxazin-3(4H)-one, 7-bromo-4-methyl-
CAS No: 1260778-66-2 Catalog No: AG000R85 MDL No:MFCD11520905
Product Description
Catalog Number:
AG000R85
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 7-bromo-4-methyl-
CAS Number:
1260778-66-2
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD11520905
IUPAC Name:
7-bromo-4-methyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H8BrNO2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5H2,1H3
InChI Key:
PAIXLUJFHMKEMR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCC(=O)N2C
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:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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