Benzoic acid, 2-amino-4,5-difluoro-, methyl ester


Chemical Name: Benzoic acid, 2-amino-4,5-difluoro-, methyl ester
CAS Number: 207346-42-7
Product Number: AG002IZM(AGN-PC-01WIF9)
Synonyms:
MDL No: MFCD09264511
Molecular Formula: C8H7F2NO2
Molecular Weight: 187.1435

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
187.146g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
187.044g/mol
Monoisotopic Mass:
187.044g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
201
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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