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88704-47-6 | Pyrrolidine, 1-acetyl-2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-
CAS No: 88704-47-6 Catalog No: AG0046DV MDL No:
Product Description
Catalog Number:
AG0046DV
Chemical Name:
Pyrrolidine, 1-acetyl-2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)-
CAS Number:
88704-47-6
Molecular Formula:
C17H16BrN3O
Molecular Weight:
358.2324
IUPAC Name:
1-[2-(7-bromo-9H-pyrido[3,4-b]indol-1-yl)pyrrolidin-1-yl]ethanone
InChI:
InChI=1S/C17H16BrN3O/c1-10(22)21-8-2-3-15(21)17-16-13(6-7-19-17)12-5-4-11(18)9-14(12)20-16/h4-7,9,15,20H,2-3,8H2,1H3
InChI Key:
XCHCOLDKRBVFMA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c1c2ccnc1C1CCCN1C(=O)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.239g/mol
Monoisotopic Mass:
357.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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