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1260606-79-8 | L-Proline, 4-[(4-bromophenyl)methyl]-, (4S)-
CAS No: 1260606-79-8 Catalog No: AG000QWK MDL No:
Product Description
Catalog Number:
AG000QWK
Chemical Name:
L-Proline, 4-[(4-bromophenyl)methyl]-, (4S)-
CAS Number:
1260606-79-8
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
(2S,4S)-4-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H14BrNO2/c13-10-3-1-8(2-4-10)5-9-6-11(12(15)16)14-7-9/h1-4,9,11,14H,5-7H2,(H,15,16)/t9-,11-/m0/s1
InChI Key:
KBZRUYGFVGXOBD-ONGXEEELSA-N
SMILES:
OC(=O)[C@H]1NC[C@H](C1)Cc1ccc(cc1)Br
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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