Home Nitros Benzeneacetic acid, α-ethyl-2,4-dinitro-

Benzeneacetic acid, α-ethyl-2,4-dinitro-

CAS No.:
1418117-86-8
Catalog Number:
AG001H7X
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
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Product Description
Catalog Number:
AG001H7X
Chemical Name:
Benzeneacetic acid, α-ethyl-2,4-dinitro-
CAS Number:
1418117-86-8
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
MDL Number:
MFCD23381106
IUPAC Name:
2-(2,4-dinitrophenyl)butanoic acid
InChI:
InChI=1S/C10H10N2O6/c1-2-7(10(13)14)8-4-3-6(11(15)16)5-9(8)12(17)18/h3-5,7H,2H2,1H3,(H,13,14)
InChI Key:
HCGPXJPXFRMKMP-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties