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1135935-39-5 | 1H-Indole-3-carboxylic acid, 5-(difluoromethoxy)-
CAS No: 1135935-39-5 Catalog No: AG000934 MDL No:
Product Description
Catalog Number:
AG000934
Chemical Name:
1H-Indole-3-carboxylic acid, 5-(difluoromethoxy)-
CAS Number:
1135935-39-5
Molecular Formula:
C10H7F2NO3
Molecular Weight:
227.1643
IUPAC Name:
5-(difluoromethoxy)-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C10H7F2NO3/c11-10(12)16-5-1-2-8-6(3-5)7(4-13-8)9(14)15/h1-4,10,13H,(H,14,15)
InChI Key:
PVFJCOSHTHYNBT-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc2c(c1)c(c[nH]2)C(=O)O)F
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.167g/mol
Monoisotopic Mass:
227.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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