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18028-29-0 | 1H-Inden-1-one, 4-bromo-2,3-dihydro-6,7-dimethoxy-
CAS No: 18028-29-0 Catalog No: AG0021VO MDL No:MFCD00088977
Product Description
Catalog Number:
AG0021VO
Chemical Name:
1H-Inden-1-one, 4-bromo-2,3-dihydro-6,7-dimethoxy-
CAS Number:
18028-29-0
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
MDL Number:
MFCD00088977
IUPAC Name:
4-bromo-6,7-dimethoxy-2,3-dihydroinden-1-one
InChI:
InChI=1S/C11H11BrO3/c1-14-9-5-7(12)6-3-4-8(13)10(6)11(9)15-2/h5H,3-4H2,1-2H3
InChI Key:
ACPYISCUOAQRMS-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c2c(c1OC)C(=O)CC2
NSC Number:
152704
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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