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Home > Bromides > 1217832-47-7
1217832-47-7 | 3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, hydrochloride (1:1), (3R,4S)-rel-
CAS No: 1217832-47-7 Catalog No: AG0015ZL MDL No:MFCD07363504
Product Description
Catalog Number:
AG0015ZL
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, hydrochloride (1:1), (3R,4S)-rel-
CAS Number:
1217832-47-7
Molecular Formula:
C11H13BrClNO2
Molecular Weight:
306.5834
MDL Number:
MFCD07363504
IUPAC Name:
(3R,4S)-4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H12BrNO2.ClH/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15;/h1-4,9-10,13H,5-6H2,(H,14,15);1H/t9-,10+;/m1./s1
InChI Key:
RONOJNNUHUBSJT-UXQCFNEQSA-N
SMILES:
OC(=O)[C@@H]1CNC[C@H]1c1ccc(cc1)Br.Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
304.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.584g/mol
Monoisotopic Mass:
304.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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