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141704-41-8 | 1,4-Cyclohexadiene-1-carbonitrile, dichloro-3,6-dioxo- (9CI)
CAS No: 141704-41-8 Catalog No: AG001GXA MDL No:
Product Description
Catalog Number:
AG001GXA
Chemical Name:
1,4-Cyclohexadiene-1-carbonitrile, dichloro-3,6-dioxo- (9CI)
CAS Number:
141704-41-8
Molecular Formula:
C7HCl2NO2
Molecular Weight:
201.9943
IUPAC Name:
2,4-dichloro-3,6-dioxocyclohexa-1,4-diene-1-carbonitrile
InChI:
InChI=1S/C7HCl2NO2/c8-4-1-5(11)3(2-10)6(9)7(4)12/h1H
InChI Key:
NNGITUHFLCZEKQ-UHFFFAOYSA-N
SMILES:
N#CC1=C(Cl)C(=O)C(=CC1=O)Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.938g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.99g/mol
Monoisotopic Mass:
200.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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