3-chloro-4-pyrrolidin-1-ylbenzoic acid


Chemical Name: 3-chloro-4-pyrrolidin-1-ylbenzoic acid
CAS Number: 585517-09-5
Product Number: AG003J8S(AGN-PC-0LH09S)
Synonyms:
MDL No: MFCD02628415
Molecular Formula: C11H12ClNO2
Molecular Weight: 225.6715

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
225.672g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
225.056g/mol
Monoisotopic Mass:
225.056g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
241
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#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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