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173157-92-1 | 1,2-Propanediol, 3-(3,6-dibromo-9H-carbazol-9-yl)-
CAS No: 173157-92-1 Catalog No: AG001YNM MDL No:MFCD00218275
Product Description
Catalog Number:
AG001YNM
Chemical Name:
1,2-Propanediol, 3-(3,6-dibromo-9H-carbazol-9-yl)-
CAS Number:
173157-92-1
Molecular Formula:
C15H13Br2NO2
Molecular Weight:
399.0772
MDL Number:
MFCD00218275
IUPAC Name:
3-(3,6-dibromocarbazol-9-yl)propane-1,2-diol
InChI:
InChI=1S/C15H13Br2NO2/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11(20)8-19/h1-6,11,19-20H,7-8H2
InChI Key:
RSYGUDMWFAJTRJ-UHFFFAOYSA-N
SMILES:
OCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.929g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.082g/mol
Monoisotopic Mass:
396.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Identification of non-nucleoside DNA synthesis inhibitors of vaccinia virus by high-throughput screening. | Journal of medicinal chemistry 20081023 |
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