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88412-30-0 | 5-chloro-2-nitrobenzene-1,3-diol
CAS No: 88412-30-0 Catalog No: AG004HZF MDL No:
Product Description
Catalog Number:
AG004HZF
Chemical Name:
5-chloro-2-nitrobenzene-1,3-diol
CAS Number:
88412-30-0
Molecular Formula:
C6H4ClNO4
Molecular Weight:
189.5533
IUPAC Name:
5-chloro-2-nitrobenzene-1,3-diol
InChI:
InChI=1S/C6H4ClNO4/c7-3-1-4(9)6(8(11)12)5(10)2-3/h1-2,9-10H
InChI Key:
UILRRWPBEHGWAZ-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)cc(c1[N+](=O)[O-])O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.983g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.551g/mol
Monoisotopic Mass:
188.983g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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