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113967-19-4 | 1-Benzoxepin-5(2H)-one, 4-bromo-3,4-dihydro-4-methyl-
CAS No: 113967-19-4 Catalog No: AG000A7J MDL No:
Product Description
Catalog Number:
AG000A7J
Chemical Name:
1-Benzoxepin-5(2H)-one, 4-bromo-3,4-dihydro-4-methyl-
CAS Number:
113967-19-4
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
4-bromo-4-methyl-2,3-dihydro-1-benzoxepin-5-one
InChI:
InChI=1S/C11H11BrO2/c1-11(12)6-7-14-9-5-3-2-4-8(9)10(11)13/h2-5H,6-7H2,1H3
InChI Key:
YOMOMSIRAFVGQE-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2OCCC1(C)Br
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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