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Home > Nitro Compounds > 85365-92-0
85365-92-0 | benzoic acid, 4-methoxy-3,5-dinitro-
CAS No: 85365-92-0 Catalog No: AG004OXU MDL No:MFCD00772339
Product Description
Catalog Number:
AG004OXU
Chemical Name:
benzoic acid, 4-methoxy-3,5-dinitro-
CAS Number:
85365-92-0
Molecular Formula:
C8H6N2O7
Molecular Weight:
242.1424
MDL Number:
MFCD00772339
IUPAC Name:
4-methoxy-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C8H6N2O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3,(H,11,12)
InChI Key:
VBLDFIFEVZSYAR-UHFFFAOYSA-N
SMILES:
COc1c(cc(cc1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
NSC Number:
156984
Properties
Complexity:
310
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:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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