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Home > Nitro Compounds > 19219-51-3
19219-51-3 | Benzoic acid, 3-(2,4-dinitrophenoxy)-
CAS No: 19219-51-3 Catalog No: AG002FQ6 MDL No:
Product Description
Catalog Number:
AG002FQ6
Chemical Name:
Benzoic acid, 3-(2,4-dinitrophenoxy)-
CAS Number:
19219-51-3
Molecular Formula:
C13H8N2O7
Molecular Weight:
304.2118
IUPAC Name:
3-(2,4-dinitrophenoxy)benzoic acid
InChI:
InChI=1S/C13H8N2O7/c16-13(17)8-2-1-3-10(6-8)22-12-5-4-9(14(18)19)7-11(12)15(20)21/h1-7H,(H,16,17)
InChI Key:
CEDNTPHUESTPLE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
58418
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.214g/mol
Monoisotopic Mass:
304.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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