Home Carboxys 1H-Indole-3-carboxylic acid, 4-nitro-

1H-Indole-3-carboxylic acid, 4-nitro-

CAS No.:
123604-27-3
Catalog Number:
AG000KV1
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
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Product Description
Catalog Number:
AG000KV1
Chemical Name:
1H-Indole-3-carboxylic acid, 4-nitro-
CAS Number:
123604-27-3
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
MDL Number:
MFCD07776774
IUPAC Name:
4-nitro-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-9(13)5-4-10-6-2-1-3-7(8(5)6)11(14)15/h1-4,10H,(H,12,13)
InChI Key:
BYWPORVVGREGBC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(c[nH]2)C(=O)O
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties