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88274-09-3 | Methanone, (3-bromo-4-hydroxyphenyl)(1,2-dimethyl-3-indolizinyl)-
CAS No: 88274-09-3 Catalog No: AG004BJU MDL No:
Product Description
Catalog Number:
AG004BJU
Chemical Name:
Methanone, (3-bromo-4-hydroxyphenyl)(1,2-dimethyl-3-indolizinyl)-
CAS Number:
88274-09-3
Molecular Formula:
C17H14BrNO2
Molecular Weight:
344.2026
IUPAC Name:
(3-bromo-4-hydroxyphenyl)-(1,2-dimethylindolizin-3-yl)methanone
InChI:
InChI=1S/C17H14BrNO2/c1-10-11(2)16(19-8-4-3-5-14(10)19)17(21)12-6-7-15(20)13(18)9-12/h3-9,20H,1-2H3
InChI Key:
CGABJOXFFFPINU-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)c(c2n1cccc2)C)c1ccc(c(c1)Br)O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.021g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.208g/mol
Monoisotopic Mass:
343.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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