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25141-25-7 | Acetic acid, 2-(2,4-dinitrophenoxy)-
CAS No: 25141-25-7 Catalog No: AG002QLV MDL No:
Product Description
Catalog Number:
AG002QLV
Chemical Name:
Acetic acid, 2-(2,4-dinitrophenoxy)-
CAS Number:
25141-25-7
Molecular Formula:
C8H6N2O7
Molecular Weight:
242.1424
IUPAC Name:
2-(2,4-dinitrophenoxy)acetic acid
InChI:
InChI=1S/C8H6N2O7/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-3H,4H2,(H,11,12)
InChI Key:
OWEDBRWCJFWVFZ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
404178
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.143g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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