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89062-17-9 | 1H-Indene, 2-bromo-1-(4-bromobutoxy)-2,3-dihydro-
CAS No: 89062-17-9 Catalog No: AG0040SD MDL No:
Product Description
Catalog Number:
AG0040SD
Chemical Name:
1H-Indene, 2-bromo-1-(4-bromobutoxy)-2,3-dihydro-
CAS Number:
89062-17-9
Molecular Formula:
C13H16Br2O
Molecular Weight:
348.0735
IUPAC Name:
2-bromo-1-(4-bromobutoxy)-2,3-dihydro-1H-indene
InChI:
InChI=1S/C13H16Br2O/c14-7-3-4-8-16-13-11-6-2-1-5-10(11)9-12(13)15/h1-2,5-6,12-13H,3-4,7-9H2
InChI Key:
BVOXYPSFHWHAET-UHFFFAOYSA-N
SMILES:
BrCCCCOC1C(Br)Cc2c1cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.955g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.078g/mol
Monoisotopic Mass:
345.957g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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