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Home > Nitro Compounds > 24642-86-2
24642-86-2 | Benzoic acid, 4-methoxy-, 2,4-dinitrophenyl ester
CAS No: 24642-86-2 Catalog No: AG002OXH MDL No:
Product Description
Catalog Number:
AG002OXH
Chemical Name:
Benzoic acid, 4-methoxy-, 2,4-dinitrophenyl ester
CAS Number:
24642-86-2
Molecular Formula:
C14H10N2O7
Molecular Weight:
318.2384
IUPAC Name:
(2,4-dinitrophenyl) 4-methoxybenzoate
InChI:
InChI=1S/C14H10N2O7/c1-22-11-5-2-9(3-6-11)14(17)23-13-7-4-10(15(18)19)8-12(13)16(20)21/h2-8H,1H3
InChI Key:
DYMIUYVUKQUOQG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.049g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.241g/mol
Monoisotopic Mass:
318.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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