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88704-46-5 | 9H-Pyrido[3,4-b]indole, 7-bromo-1-(2-pyrrolidinyl)-
CAS No: 88704-46-5 Catalog No: AG0046GH MDL No:
Product Description
Catalog Number:
AG0046GH
Chemical Name:
9H-Pyrido[3,4-b]indole, 7-bromo-1-(2-pyrrolidinyl)-
CAS Number:
88704-46-5
Molecular Formula:
C15H14BrN3
Molecular Weight:
316.1958
IUPAC Name:
7-bromo-1-pyrrolidin-2-yl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C15H14BrN3/c16-9-3-4-10-11-5-7-18-15(12-2-1-6-17-12)14(11)19-13(10)8-9/h3-5,7-8,12,17,19H,1-2,6H2
InChI Key:
FXHWPOFJJQFHBP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c1c2ccnc1C1CCCN1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.202g/mol
Monoisotopic Mass:
315.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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