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177362-58-2 | 1H-Inden-1-one, 4-bromo-2-ethyl-2,3-dihydro-7-methoxy-
CAS No: 177362-58-2 Catalog No: AG00259T MDL No:MFCD18072921
Product Description
Catalog Number:
AG00259T
Chemical Name:
1H-Inden-1-one, 4-bromo-2-ethyl-2,3-dihydro-7-methoxy-
CAS Number:
177362-58-2
Molecular Formula:
C12H13BrO2
Molecular Weight:
269.1344
MDL Number:
MFCD18072921
IUPAC Name:
4-bromo-2-ethyl-7-methoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C12H13BrO2/c1-3-7-6-8-9(13)4-5-10(15-2)11(8)12(7)14/h4-5,7H,3,6H2,1-2H3
InChI Key:
MXBWVNHYOUMNQE-UHFFFAOYSA-N
SMILES:
CCC1Cc2c(C1=O)c(OC)ccc2Br
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.138g/mol
Monoisotopic Mass:
268.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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