Benzoic acid, 4-amino-2,6-difluoro-, methyl ester


Chemical Name: Benzoic acid, 4-amino-2,6-difluoro-, methyl ester
CAS Number: 191478-99-6
Product Number: AG002F9E(AGN-PC-03X6JP)
Synonyms:
MDL No:
Molecular Formula: C8H7F2NO2
Molecular Weight: 187.1435

Identification/Properties


Properties
BP:
306°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
187.146g/mol
XLogP3:
1.3
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:
189
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/METHYL4-AMINO-26-DIFLUOROBENZOATE-191478-99-6-hnmr.pdf

Other Analytical Data


POTHER/METHYL4-AMINO-26-DIFLUOROBENZOATE-191478-99-6-gc.pdf

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