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113679-47-3 | 9H-Pyrido[3,4-b]indole, 6-bromo-1-ethyl-
CAS No: 113679-47-3 Catalog No: AG0009A9 MDL No:
Product Description
Catalog Number:
AG0009A9
Chemical Name:
9H-Pyrido[3,4-b]indole, 6-bromo-1-ethyl-
CAS Number:
113679-47-3
Molecular Formula:
C13H11BrN2
Molecular Weight:
275.1438
IUPAC Name:
6-bromo-1-ethyl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C13H11BrN2/c1-2-11-13-9(5-6-15-11)10-7-8(14)3-4-12(10)16-13/h3-7,16H,2H2,1H3
InChI Key:
HXQMQNDXVQVJGG-UHFFFAOYSA-N
SMILES:
CCc1nccc2c1[nH]c1c2cc(cc1)Br
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.149g/mol
Monoisotopic Mass:
274.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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