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1235481-90-9 | 9H-Carbazole-9-propanamine, 3,6-dibromo-β-fluoro-N-(3-methoxyphenyl)-
CAS No: 1235481-90-9 Catalog No: AG000KRT MDL No:MFCD28023591
Product Description
Catalog Number:
AG000KRT
Chemical Name:
9H-Carbazole-9-propanamine, 3,6-dibromo-β-fluoro-N-(3-methoxyphenyl)-
CAS Number:
1235481-90-9
Molecular Formula:
C22H19Br2FN2O
Molecular Weight:
506.2055
MDL Number:
MFCD28023591
IUPAC Name:
N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline
InChI:
InChI=1S/C22H19Br2FN2O/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27/h2-11,16,26H,12-13H2,1H3
InChI Key:
XNLTWMQBJFWQOU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)F
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.983g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.213g/mol
Monoisotopic Mass:
503.985g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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