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834917-62-3 | Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester
CAS No: 834917-62-3 Catalog No: AG00507C MDL No:
Product Description
Catalog Number:
AG00507C
Chemical Name:
Propanedioic acid, [(1R)-1-(4-chlorophenyl)-2-nitroethyl]-, diethyl ester
CAS Number:
834917-62-3
Molecular Formula:
C15H18ClNO6
Molecular Weight:
343.7595
IUPAC Name:
diethyl 2-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]propanedioate
InChI:
InChI=1S/C15H18ClNO6/c1-3-22-14(18)13(15(19)23-4-2)12(9-17(20)21)10-5-7-11(16)8-6-10/h5-8,12-13H,3-4,9H2,1-2H3/t12-/m0/s1
InChI Key:
QHPVJVKAOBSUKV-LBPRGKRZSA-N
SMILES:
CCOC(=O)C([C@H](c1ccc(cc1)Cl)C[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.76g/mol
Monoisotopic Mass:
343.082g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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