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Home > Nitro Compounds > 20294-52-4
20294-52-4 | Phenol, 4-methyl-2,5-dinitro-
CAS No: 20294-52-4 Catalog No: AG0028L7 MDL No:MFCD18381201
Product Description
Catalog Number:
AG0028L7
Chemical Name:
Phenol, 4-methyl-2,5-dinitro-
CAS Number:
20294-52-4
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD18381201
IUPAC Name:
4-methyl-2,5-dinitrophenol
InChI:
InChI=1S/C7H6N2O5/c1-4-2-6(9(13)14)7(10)3-5(4)8(11)12/h2-3,10H,1H3
InChI Key:
KBKKXHQMXZFCLI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(O)c(cc1C)[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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