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1065074-72-7 | Ethyl 5-(5-bromo-1H-indol-1-yl);pentanoate
CAS No: 1065074-72-7 Catalog No: AG003QBS MDL No:MFCD11053866
Product Description
Catalog Number:
AG003QBS
Chemical Name:
Ethyl 5-(5-bromo-1H-indol-1-yl);pentanoate
CAS Number:
1065074-72-7
Molecular Formula:
C15H18BrNO2
Molecular Weight:
324.2129
MDL Number:
MFCD11053866
IUPAC Name:
ethyl 5-(5-bromoindol-1-yl)pentanoate
InChI:
InChI=1S/C15H18BrNO2/c1-2-19-15(18)5-3-4-9-17-10-8-12-11-13(16)6-7-14(12)17/h6-8,10-11H,2-5,9H2,1H3
InChI Key:
GNJZABGSSONURL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCn1ccc2c1ccc(c2)Br
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.218g/mol
Monoisotopic Mass:
323.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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