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871586-76-4 | 1H-Carbazole-1-carboxylicacid, 6-(difluoromethoxy)-2,3,4,9-tetrahydro-, ethyl ester
CAS No: 871586-76-4 Catalog No: AG004OBF MDL No:
Product Description
Catalog Number:
AG004OBF
Chemical Name:
1H-Carbazole-1-carboxylicacid, 6-(difluoromethoxy)-2,3,4,9-tetrahydro-, ethyl ester
CAS Number:
871586-76-4
Molecular Formula:
C16H17F2NO3
Molecular Weight:
309.3079
IUPAC Name:
ethyl 6-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
InChI:
InChI=1S/C16H17F2NO3/c1-2-21-15(20)11-5-3-4-10-12-8-9(22-16(17)18)6-7-13(12)19-14(10)11/h6-8,11,16,19H,2-5H2,1H3
InChI Key:
HRNXWTWMHYIKIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCc2c1[nH]c1c2cc(cc1)OC(F)F
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.313g/mol
Monoisotopic Mass:
309.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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