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26066-88-6 | 9H-Pyrido[2,3-b]indole, 6-bromo-
CAS No: 26066-88-6 Catalog No: AG002RKA MDL No:MFCD18803940
Product Description
Catalog Number:
AG002RKA
Chemical Name:
9H-Pyrido[2,3-b]indole, 6-bromo-
CAS Number:
26066-88-6
Molecular Formula:
C11H7BrN2
Molecular Weight:
247.0907
MDL Number:
MFCD18803940
IUPAC Name:
6-bromo-9H-pyrido[2,3-b]indole
InChI:
InChI=1S/C11H7BrN2/c12-7-3-4-10-9(6-7)8-2-1-5-13-11(8)14-10/h1-6H,(H,13,14)
InChI Key:
XCNVELJEUIETFR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1cccnc1[nH]2
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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