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Home > Nitro Compounds > 89267-25-4
89267-25-4 | 4-Quinolinecarboxamide, 2-chloro-N,N-bis(2-chloroethyl)-6-nitro-
CAS No: 89267-25-4 Catalog No: AG0041FX MDL No:
Product Description
Catalog Number:
AG0041FX
Chemical Name:
4-Quinolinecarboxamide, 2-chloro-N,N-bis(2-chloroethyl)-6-nitro-
CAS Number:
89267-25-4
Molecular Formula:
C14H12Cl3N3O3
Molecular Weight:
376.6224
IUPAC Name:
2-chloro-N,N-bis(2-chloroethyl)-6-nitroquinoline-4-carboxamide
InChI:
InChI=1S/C14H12Cl3N3O3/c15-3-5-19(6-4-16)14(21)11-8-13(17)18-12-2-1-9(20(22)23)7-10(11)12/h1-2,7-8H,3-6H2
InChI Key:
LQTYFTBPJCKJFV-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)c1cc(Cl)nc2c1cc(cc2)[N+](=O)[O-])CCCl
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.994g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.618g/mol
Monoisotopic Mass:
374.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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