Home Nitro Compounds 90196-48-8
90196-48-8,MFCD00127687
Catalog No.:AA003IUN
90196-48-8 | 3-Carbamoyl-5-nitrobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
2 weeks  
$105.00   $74.00
- +
5g
97%
2 weeks  
$215.00   $151.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IUN
Chemical Name:
3-Carbamoyl-5-nitrobenzoic acid
CAS Number:
90196-48-8
Molecular Formula:
C8H6N2O5
Molecular Weight:
210.1436
MDL Number:
MFCD00127687
IUPAC Name:
3-carbamoyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6N2O5/c9-7(11)4-1-5(8(12)13)3-6(2-4)10(14)15/h1-3H,(H2,9,11)(H,12,13)
InChI Key:
BDXFKMQTIGVLEU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)C(=O)O)C(=O)N
Properties
Computed Properties
 
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.028g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.145g/mol
Monoisotopic Mass:
210.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
90196-48-8 
3-carbamoyl-5-nitrobenzoic acid 
BDXFKMQTIGVLEU-UHFFFAOYSA-N 
ZINC12359166 
3-(aminocarbonyl)-5-nitrobenzoic acid 
AKOS000176843 
BBV-071333 
FCH5277706 
MCULE-1364280884 
DA-01549 
FT-0724071 
EN300-213403 
3-AMINOCARBONYL-5-NITROBENZOIC ACID 
3-Carboxy-5-nitrobenzamide 
MFCD00127687 
3-Aminocarbonyl-5-nitrobenzoic acid, 97% 
5-Nitroisophthalamic acid 
SCHEMBL3662651 
CTK5G7493 
DTXSID30628039 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A