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121689-22-3 | 4-Quinolinecarboxylic acid, 8-nitro-
CAS No: 121689-22-3 Catalog No: AG0015L1 MDL No:MFCD00234595
Product Description
Catalog Number:
AG0015L1
Chemical Name:
4-Quinolinecarboxylic acid, 8-nitro-
CAS Number:
121689-22-3
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
MDL Number:
MFCD00234595
IUPAC Name:
8-nitroquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H6N2O4/c13-10(14)7-4-5-11-9-6(7)2-1-3-8(9)12(15)16/h1-5H,(H,13,14)
InChI Key:
ORRCVWMWVBLLBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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