Benzoic acid, 2,5-difluoro-, methyl ester


Chemical Name: Benzoic acid, 2,5-difluoro-, methyl ester
CAS Number: 362601-90-9
Product Number: AG007A8C(AGN-PC-0KKZIK)
Synonyms:
MDL No: MFCD03093800
Molecular Formula: C8H6F2O2
Molecular Weight: 172.1288

Identification/Properties


Computed Properties
Molecular Weight:
172.131g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.034g/mol
Monoisotopic Mass:
172.034g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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