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124614-50-2 | 1H-Indole-3-carboxylic acid, 4,5,6,7-tetrafluoro-
CAS No: 124614-50-2 Catalog No: AG000MHH MDL No:MFCD06203433
Product Description
Catalog Number:
AG000MHH
Chemical Name:
1H-Indole-3-carboxylic acid, 4,5,6,7-tetrafluoro-
CAS Number:
124614-50-2
Molecular Formula:
C9H3F4NO2
Molecular Weight:
233.1192
MDL Number:
MFCD06203433
IUPAC Name:
4,5,6,7-tetrafluoro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H3F4NO2/c10-4-3-2(9(15)16)1-14-8(3)7(13)6(12)5(4)11/h1,14H,(H,15,16)
InChI Key:
XJULDFMKXBJQGD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(F)c(F)c(c2F)F
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.122g/mol
Monoisotopic Mass:
233.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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