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1300031-65-5 | Quinoline, 4-chloro-7-(3,5-dimethyl-4-isoxazolyl)-6-methoxy-3-nitro-
CAS No: 1300031-65-5 Catalog No: AG000TW7 MDL No:
Product Description
Catalog Number:
AG000TW7
Chemical Name:
Quinoline, 4-chloro-7-(3,5-dimethyl-4-isoxazolyl)-6-methoxy-3-nitro-
CAS Number:
1300031-65-5
Molecular Formula:
C15H12ClN3O4
Molecular Weight:
333.7265
IUPAC Name:
4-(4-chloro-6-methoxy-3-nitroquinolin-7-yl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C15H12ClN3O4/c1-7-14(8(2)23-18-7)10-4-11-9(5-13(10)22-3)15(16)12(6-17-11)19(20)21/h4-6H,1-3H3
InChI Key:
MMIFSFKVRZRDAS-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1c1c(C)noc1C)ncc(c2Cl)[N+](=O)[O-]
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.052g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.728g/mol
Monoisotopic Mass:
333.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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