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Home > Nitro Compounds > 1217755-41-3
1217755-41-3 | (R)-alpha-(3-nitro-benzyl)-proline-HCl
CAS No: 1217755-41-3 Catalog No: AG00HGEL MDL No:MFCD08056079
Product Description
Catalog Number:
AG00HGEL
Chemical Name:
(R)-alpha-(3-nitro-benzyl)-proline-HCl
CAS Number:
1217755-41-3
Molecular Formula:
C12H15ClN2O4
Molecular Weight:
286.7115
MDL Number:
MFCD08056079
IUPAC Name:
(2R)-2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H14N2O4.ClH/c15-11(16)12(5-2-6-13-12)8-9-3-1-4-10(7-9)14(17)18;/h1,3-4,7,13H,2,5-6,8H2,(H,15,16);1H/t12-;/m1./s1
InChI Key:
RNZZQZAXELQJQT-UTONKHPSSA-N
SMILES:
OC(=O)[C@@]1(CCCN1)Cc1cccc(c1)[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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