Benzoic acid, 3-bromo-4-nitro-


Chemical Name: Benzoic acid, 3-bromo-4-nitro-
CAS Number: 101420-81-9
Product Number: AG0004H1(AGN-PC-00UQU1)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNO4
Molecular Weight: 246.0150

Identification/Properties


Computed Properties
Molecular Weight:
246.016g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
244.932g/mol
Monoisotopic Mass:
244.932g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
227
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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