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Home > Nitro Compounds > 1217739-51-9
1217739-51-9 | L-Proline, 2-[(4-nitrophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217739-51-9 Catalog No: AG0015XK MDL No:MFCD06796777
Product Description
Catalog Number:
AG0015XK
Chemical Name:
L-Proline, 2-[(4-nitrophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217739-51-9
Molecular Formula:
C12H15ClN2O4
Molecular Weight:
286.7115
MDL Number:
MFCD06796777
IUPAC Name:
(2R)-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14N2O4.ClH/c15-11(16)12(6-1-7-13-12)8-9-2-4-10(5-3-9)14(17)18;/h2-5,13H,1,6-8H2,(H,15,16);1H/t12-;/m1./s1
InChI Key:
HWLQIRSDXWPZMQ-UTONKHPSSA-N
SMILES:
OC(=O)[C@@]1(CCCN1)Cc1ccc(cc1)[N+](=O)[O-].Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
286.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.712g/mol
Monoisotopic Mass:
286.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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