Home Nitros Benzoic acid,2-formyl-5-nitro-

Benzoic acid,2-formyl-5-nitro-

CAS No.:
7464-91-7
Catalog Number:
AG005UZ9
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$399
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Product Description
Catalog Number:
AG005UZ9
Chemical Name:
Benzoic acid,2-formyl-5-nitro-
CAS Number:
7464-91-7
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
MDL Number:
MFCD06739576
IUPAC Name:
2-formyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H5NO5/c10-4-5-1-2-6(9(13)14)3-7(5)8(11)12/h1-4H,(H,11,12)
InChI Key:
IQZDAZHSOLMQJD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C(=O)O)[N+](=O)[O-]
NSC Number:
400132
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.13g/mol
Monoisotopic Mass:
195.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties