Home Carboxys 1-Methyl-5-nitro-1H-indole-2-carboxylic acid

1-Methyl-5-nitro-1H-indole-2-carboxylic acid

CAS No.:
71056-94-5
Catalog Number:
AG0060V1
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$189
- +
Product Description
Catalog Number:
AG0060V1
Chemical Name:
1-Methyl-5-nitro-1H-indole-2-carboxylic acid
CAS Number:
71056-94-5
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD00219780
IUPAC Name:
1-methyl-5-nitroindole-2-carboxylic acid
InChI:
InChI=1S/C10H8N2O4/c1-11-8-3-2-7(12(15)16)4-6(8)5-9(11)10(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
IRQPCRXWJLFPLG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties