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Home > Nitro Compounds > 1217849-53-0
1217849-53-0 | D-2,4-Dinitrophenylalanine
CAS No: 1217849-53-0 Catalog No: AG00JKJM MDL No:MFCD08061613
Product Description
Catalog Number:
AG00JKJM
Chemical Name:
D-2,4-Dinitrophenylalanine
CAS Number:
1217849-53-0
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
MDL Number:
MFCD08061613
IUPAC Name:
(2R)-2-amino-3-(2,4-dinitrophenyl)propanoic acid
InChI:
InChI=1S/C9H9N3O6/c10-7(9(13)14)3-5-1-2-6(11(15)16)4-8(5)12(17)18/h1-2,4,7H,3,10H2,(H,13,14)/t7-/m1/s1
InChI Key:
LLVUHQYJZJUDAM-SSDOTTSWSA-N
SMILES:
OC(=O)[C@@H](Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
255.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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