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1235481-43-2 | 9H-Carbazole-9-ethanol, 3,6-dibromo-α-[[(3-methoxyphenyl)amino]methyl]-, (αS)-
CAS No: 1235481-43-2 Catalog No: AG000KRU MDL No:
Product Description
Catalog Number:
AG000KRU
Chemical Name:
9H-Carbazole-9-ethanol, 3,6-dibromo-α-[[(3-methoxyphenyl)amino]methyl]-, (αS)-
CAS Number:
1235481-43-2
Molecular Formula:
C22H20Br2N2O2
Molecular Weight:
504.2144
IUPAC Name:
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(3-methoxyanilino)propan-2-ol
InChI:
InChI=1S/C22H20Br2N2O2/c1-28-18-4-2-3-16(11-18)25-12-17(27)13-26-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)26/h2-11,17,25,27H,12-13H2,1H3/t17-/m1/s1
InChI Key:
LEICNUMXFWNCSJ-QGZVFWFLSA-N
SMILES:
COc1cccc(c1)NC[C@@H](Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
503.987g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
504.222g/mol
Monoisotopic Mass:
501.989g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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