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847577-91-7 | Quinoline, 4-chloro-3-nitro-6-(phenylmethoxy)-
CAS No: 847577-91-7 Catalog No: AG004YAD MDL No:MFCD29921755
Product Description
Catalog Number:
AG004YAD
Chemical Name:
Quinoline, 4-chloro-3-nitro-6-(phenylmethoxy)-
CAS Number:
847577-91-7
Molecular Formula:
C16H11ClN2O3
Molecular Weight:
314.7231
MDL Number:
MFCD29921755
IUPAC Name:
4-chloro-3-nitro-6-phenylmethoxyquinoline
InChI:
InChI=1S/C16H11ClN2O3/c17-16-13-8-12(22-10-11-4-2-1-3-5-11)6-7-14(13)18-9-15(16)19(20)21/h1-9H,10H2
InChI Key:
JRVDRDOKUFYSID-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1Cl)cc(cc2)OCc1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.046g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.725g/mol
Monoisotopic Mass:
314.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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