Home Nitros 3-carbamoyl-5-nitrobenzoic acid

3-carbamoyl-5-nitrobenzoic acid

CAS No.:
90196-48-8
Catalog Number:
AG003IXF
Molecular Formula:
C8H6N2O5
Molecular Weight:
210.1436
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003IXF
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
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  
Properties