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55198-89-5 | 3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2(1H)-one
CAS No: 55198-89-5 Catalog No: AG003IV1 MDL No:
Product Description
Catalog Number:
AG003IV1
Chemical Name:
3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2(1H)-one
CAS Number:
55198-89-5
Molecular Formula:
C15H10ClN3O3
Molecular Weight:
315.7112
IUPAC Name:
3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one
InChI:
InChI=1S/C15H10ClN3O3/c16-11-4-2-1-3-9(11)13-10-7-8(19(21)22)5-6-12(10)18-15(20)14(13)17/h1-7H,17H2,(H,18,20)
InChI Key:
GYAWOVGCEQLWHW-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1c(N)c(=O)[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
517
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.713g/mol
Monoisotopic Mass:
315.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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