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125629-22-3 | Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-
CAS No: 125629-22-3 Catalog No: AG000NZJ MDL No:
Product Description
Catalog Number:
AG000NZJ
Chemical Name:
Benzonitrile, 2-chloro-3,4-dihydroxy-5-nitro-
CAS Number:
125629-22-3
Molecular Formula:
C7H3ClN2O4
Molecular Weight:
214.5627
IUPAC Name:
2-chloro-3,4-dihydroxy-5-nitrobenzonitrile
InChI:
InChI=1S/C7H3ClN2O4/c8-5-3(2-9)1-4(10(13)14)6(11)7(5)12/h1,11-12H
InChI Key:
FCCMPPPCJVQGBC-UHFFFAOYSA-N
SMILES:
N#Cc1cc([N+](=O)[O-])c(c(c1Cl)O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.978g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.561g/mol
Monoisotopic Mass:
213.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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