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159898-15-4 | 9H-Pyrido[3,4-b]indole, 1-bromo-
CAS No: 159898-15-4 Catalog No: AG001RI4 MDL No:
Product Description
Catalog Number:
AG001RI4
Chemical Name:
9H-Pyrido[3,4-b]indole, 1-bromo-
CAS Number:
159898-15-4
Molecular Formula:
C11H7BrN2
Molecular Weight:
247.0907
IUPAC Name:
1-bromo-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C11H7BrN2/c12-11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-6,14H
InChI Key:
BFBBBZFKYUWJSV-UHFFFAOYSA-N
SMILES:
Brc1nccc2c1[nH]c1c2cccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.095g/mol
Monoisotopic Mass:
245.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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