Boc-(±)-trans-4-(4-bromophenyl)pyrrolidine-3-carboxylic acid


Chemical Name: Boc-(±)-trans-4-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CAS Number: 1217829-96-3
Product Number: AG0015ZP(AGN-PC-0WAKXS)
Synonyms:
MDL No:
Molecular Formula: C16H19BrNO4-
Molecular Weight: 369.2304

Identification/Properties


Computed Properties
Molecular Weight:
370.243g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
369.058g/mol
Monoisotopic Mass:
369.058g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
426
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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:
H302-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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