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Home > Nitro Compounds > 1217654-85-7
1217654-85-7 | L-Proline, 2-[(2-nitrophenyl)methyl]-, hydrochloride (1:1)
CAS No: 1217654-85-7 Catalog No: AG0015VX MDL No:MFCD08056078
Product Description
Catalog Number:
AG0015VX
Chemical Name:
L-Proline, 2-[(2-nitrophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
1217654-85-7
Molecular Formula:
C12H15ClN2O4
Molecular Weight:
286.7115
MDL Number:
MFCD08056078
IUPAC Name:
(2R)-2-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14N2O4.ClH/c15-11(16)12(6-3-7-13-12)8-9-4-1-2-5-10(9)14(17)18;/h1-2,4-5,13H,3,6-8H2,(H,15,16);1H/t12-;/m1./s1
InChI Key:
KJRTZWWMWDAGJL-UTONKHPSSA-N
SMILES:
OC(=O)[C@@]1(CCCN1)Cc1ccccc1[N+](=O)[O-].Cl
Properties
Complexity:
342
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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