Benzoic acid, 2-amino-5-chloro-3-methyl-


Chemical Name: Benzoic acid, 2-amino-5-chloro-3-methyl-
CAS Number: 20776-67-4
Product Number: AG002JAA(AGN-PC-00DADH)
Synonyms:
MDL No: MFCD02358895
Molecular Formula: C8H8ClNO2
Molecular Weight: 185.6076

Identification/Properties


Properties
MP:
239-243 °C(lit.)
BP:
348.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
185.607g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
185.024g/mol
Monoisotopic Mass:
185.024g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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-H317-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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