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113944-49-3 | 3-Quinolinecarbonitrile, 2,4-dichloro-6-nitro-
CAS No: 113944-49-3 Catalog No: AG000A48 MDL No:MFCD29924208
Product Description
Catalog Number:
AG000A48
Chemical Name:
3-Quinolinecarbonitrile, 2,4-dichloro-6-nitro-
CAS Number:
113944-49-3
Molecular Formula:
C10H3Cl2N3O2
Molecular Weight:
268.0557
MDL Number:
MFCD29924208
IUPAC Name:
2,4-dichloro-6-nitroquinoline-3-carbonitrile
InChI:
InChI=1S/C10H3Cl2N3O2/c11-9-6-3-5(15(16)17)1-2-8(6)14-10(12)7(9)4-13/h1-3H
InChI Key:
UPUJFKUYASNFHP-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc2c(c1Cl)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.96g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.053g/mol
Monoisotopic Mass:
266.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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