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114259-74-4 | Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-nitro-
CAS No: 114259-74-4 Catalog No: AG000AXG MDL No:
Product Description
Catalog Number:
AG000AXG
Chemical Name:
Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-nitro-
CAS Number:
114259-74-4
Molecular Formula:
C15H10ClN3O3
Molecular Weight:
315.7112
IUPAC Name:
4-[(7-chloroquinolin-4-yl)amino]-2-nitrophenol
InChI:
InChI=1S/C15H10ClN3O3/c16-9-1-3-11-12(5-6-17-13(11)7-9)18-10-2-4-15(20)14(8-10)19(21)22/h1-8,20H,(H,17,18)
InChI Key:
QCOPREGPVMFCAJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)[N+](=O)[O-])O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.041g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.713g/mol
Monoisotopic Mass:
315.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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