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Home > Bromides > 1365273-01-3
1365273-01-3 | 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-propyl-
CAS No: 1365273-01-3 Catalog No: AG00121H MDL No:MFCD21609655
Product Description
Catalog Number:
AG00121H
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-propyl-
CAS Number:
1365273-01-3
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD21609655
IUPAC Name:
6-bromo-4-propyl-1,4-benzoxazin-3-one
InChI:
InChI=1S/C11H12BrNO2/c1-2-5-13-9-6-8(12)3-4-10(9)15-7-11(13)14/h3-4,6H,2,5,7H2,1H3
InChI Key:
HLIKGVGAPMAWBY-UHFFFAOYSA-N
SMILES:
CCCN1C(=O)COc2c1cc(Br)cc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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