Home Carboxys 5-nitro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

5-nitro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid

CAS No.:
2060061-45-0
Catalog Number:
AG01BQ2T
Molecular Formula:
C10H5F3N2O4
Molecular Weight:
274.1529
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Product Description
Catalog Number:
AG01BQ2T
Chemical Name:
5-nitro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CAS Number:
2060061-45-0
Molecular Formula:
C10H5F3N2O4
Molecular Weight:
274.1529
MDL Number:
MFCD30500934
IUPAC Name:
5-nitro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H5F3N2O4/c11-10(12,13)6-3-5(15(18)19)1-4-2-7(9(16)17)14-8(4)6/h1-3,14H,(H,16,17)
InChI Key:
MQROVOCYUYZSOT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(cc(c2)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.02g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.155g/mol
Monoisotopic Mass:
274.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties