Home Carboxys Methyl 5-nitro-1h-indole-3-carboxylate

Methyl 5-nitro-1h-indole-3-carboxylate

CAS No.:
686747-51-3
Catalog Number:
AG00628D
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$314
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Product Description
Catalog Number:
AG00628D
Chemical Name:
Methyl 5-nitro-1h-indole-3-carboxylate
CAS Number:
686747-51-3
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD06204072
IUPAC Name:
methyl 5-nitro-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H8N2O4/c1-16-10(13)8-5-11-9-3-2-6(12(14)15)4-7(8)9/h2-5,11H,1H3
InChI Key:
MMDKJGMVXBELQV-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
302  
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:
2  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties