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77832-93-0 | Methanone, (1-bromo-2-propyl-3-indolizinyl)(3-chloro-4-hydroxyphenyl)-
CAS No: 77832-93-0 Catalog No: AG0057DT MDL No:
Product Description
Catalog Number:
AG0057DT
Chemical Name:
Methanone, (1-bromo-2-propyl-3-indolizinyl)(3-chloro-4-hydroxyphenyl)-
CAS Number:
77832-93-0
Molecular Formula:
C18H15BrClNO2
Molecular Weight:
392.6742
IUPAC Name:
(1-bromo-2-propylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
InChI:
InChI=1S/C18H15BrClNO2/c1-2-5-12-16(19)14-6-3-4-9-21(14)17(12)18(23)11-7-8-15(22)13(20)10-11/h3-4,6-10,22H,2,5H2,1H3
InChI Key:
IYAIBHBTFLOUCM-UHFFFAOYSA-N
SMILES:
CCCc1c(C(=O)c2ccc(c(c2)Cl)O)n2c(c1Br)cccc2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.997g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.677g/mol
Monoisotopic Mass:
390.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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