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1694-97-9

1694-97-9 | N-(2,4-DINITROPHENYL)-L-VALINE

CAS No: 1694-97-9 Catalog No: AG003S85 MDL No:MFCD00038096

Product Description

Catalog Number:
AG003S85
Chemical Name:
N-(2,4-DINITROPHENYL)-L-VALINE
CAS Number:
1694-97-9
MDL Number:
MFCD00038096
IUPAC Name:
(2S)-2-(2,4-dinitroanilino)-3-methylbutanoic acid
InChI:
InChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1
InChI Key:
AYLCDVYHZOZQKM-JTQLQIEISA-N
EC Number:
216-909-2

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.08g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.24g/mol
Monoisotopic Mass:
283.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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