Benzoic acid, 4-chloro-2-(difluoromethoxy)-, methyl ester


Chemical Name: Benzoic acid, 4-chloro-2-(difluoromethoxy)-, methyl ester
CAS Number: 639826-30-5
Product Number: AG00EJVU(AGN-PC-09RZW8)
Synonyms:
MDL No:
Molecular Formula: C9H7ClF2O3
Molecular Weight: 236.5999

Identification/Properties


Computed Properties
Molecular Weight:
236.599g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
236.005g/mol
Monoisotopic Mass:
236.005g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
225
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:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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