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Home > Nitro Compounds > 233585-04-1
233585-04-1 | Benzonitrile, 2,6-dihydroxy-3-nitro-
CAS No: 233585-04-1 Catalog No: AG002MYW MDL No:MFCD00017325
Product Description
Catalog Number:
AG002MYW
Chemical Name:
Benzonitrile, 2,6-dihydroxy-3-nitro-
CAS Number:
233585-04-1
Molecular Formula:
C7H4N2O4
Molecular Weight:
180.1177
MDL Number:
MFCD00017325
IUPAC Name:
2,6-dihydroxy-3-nitrobenzonitrile
InChI:
InChI=1S/C7H4N2O4/c8-3-4-6(10)2-1-5(7(4)11)9(12)13/h1-2,10-11H
InChI Key:
UJRWAOVXKTVXBQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)ccc(c1O)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.119g/mol
Monoisotopic Mass:
180.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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