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Home > Nitro Compounds > 168839-42-7
168839-42-7 | 4-(3,5-Dinitrophenoxy)benzoic acid
CAS No: 168839-42-7 Catalog No: AG00HZ96 MDL No:MFCD12027077
Product Description
Catalog Number:
AG00HZ96
Chemical Name:
4-(3,5-Dinitrophenoxy)benzoic acid
CAS Number:
168839-42-7
Molecular Formula:
C13H8N2O7
Molecular Weight:
304.2118
MDL Number:
MFCD12027077
IUPAC Name:
4-(3,5-dinitrophenoxy)benzoic acid
InChI:
InChI=1S/C13H8N2O7/c16-13(17)8-1-3-11(4-2-8)22-12-6-9(14(18)19)5-10(7-12)15(20)21/h1-7H,(H,16,17)
InChI Key:
ATFCAZVCTUZJIS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Oc2ccc(cc2)C(=O)O)cc(c1)[N+](=O)[O-]
Properties
Complexity:
415
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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