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155669-77-5 | 1,4-Naphthalenedione,2-chloro-3-(chloroamino)-
CAS No: 155669-77-5 Catalog No: AG001O34 MDL No:
Product Description
Catalog Number:
AG001O34
Chemical Name:
1,4-Naphthalenedione,2-chloro-3-(chloroamino)-
CAS Number:
155669-77-5
Molecular Formula:
C10H5Cl2NO2
Molecular Weight:
242.0582
IUPAC Name:
2-chloro-3-(chloroamino)naphthalene-1,4-dione
InChI:
InChI=1S/C10H5Cl2NO2/c11-7-8(13-12)10(15)6-4-2-1-3-5(6)9(7)14/h1-4,13H
InChI Key:
NMKFCUZEFPRPJX-UHFFFAOYSA-N
SMILES:
ClNC1=C(Cl)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.055g/mol
Monoisotopic Mass:
240.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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