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116920-31-1 | 1,3-Benzenediol, 2-chloro-4,6-dinitro-
CAS No: 116920-31-1 Catalog No: AG000DDK MDL No:
Product Description
Catalog Number:
AG000DDK
Chemical Name:
1,3-Benzenediol, 2-chloro-4,6-dinitro-
CAS Number:
116920-31-1
Molecular Formula:
C6H3ClN2O6
Molecular Weight:
234.5508
IUPAC Name:
2-chloro-4,6-dinitrobenzene-1,3-diol
InChI:
InChI=1S/C6H3ClN2O6/c7-4-5(10)2(8(12)13)1-3(6(4)11)9(14)15/h1,10-11H
InChI Key:
MQUYUNNOHCHJQM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)Cl)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.548g/mol
Monoisotopic Mass:
233.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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