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124985-06-4 | 9H-Carbazole-9-acetic acid, 3,6-dibromo-, ethyl ester
CAS No: 124985-06-4 Catalog No: AG000MXU MDL No:
Product Description
Catalog Number:
AG000MXU
Chemical Name:
9H-Carbazole-9-acetic acid, 3,6-dibromo-, ethyl ester
CAS Number:
124985-06-4
Molecular Formula:
C16H13Br2NO2
Molecular Weight:
411.0879
IUPAC Name:
ethyl 2-(3,6-dibromocarbazol-9-yl)acetate
InChI:
InChI=1S/C16H13Br2NO2/c1-2-21-16(20)9-19-14-5-3-10(17)7-12(14)13-8-11(18)4-6-15(13)19/h3-8H,2,9H2,1H3
InChI Key:
AWSNGNNYPAMEDT-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1c2ccc(cc2c2c1ccc(c2)Br)Br
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.929g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.093g/mol
Monoisotopic Mass:
408.931g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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