Benzoic acid, 2,5-dimethyl-3-nitro-


Chemical Name: Benzoic acid, 2,5-dimethyl-3-nitro-
CAS Number: 27022-97-5
Product Number: AG007M5F(AGN-PC-0JNU09)
Synonyms:
MDL No:
Molecular Formula: C9H9NO4
Molecular Weight: 195.1721

Identification/Properties


Computed Properties
Molecular Weight:
195.174g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
195.053g/mol
Monoisotopic Mass:
195.053g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
248
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback