3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2(1H)-one - CAS 55198-89-5
Catalog: |
BB028942 |
Product Name: |
3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2(1H)-one |
CAS: |
55198-89-5 |
Synonyms: |
3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one; 3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one |
IUPAC Name: | 3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one |
Description: | 3-Amino-4-(2-chlorophenyl)-6-nitroquinolin-2(1H)-one (CAS# 55198-89-5) is an impurity of Clonazepam (C587080), antiepileptic agent with anxiolytic and antimanic properties. |
Molecular Weight: | 315.71 |
Molecular Formula: | C15H10ClN3O3 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])N)Cl |
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 |
LogP: | 4.85560 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P264, P270, P273, P281, P301+P312, P308+P313, P330, P405, and P501 |
Signal Word: | Warning |
Complexity: | 517 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.0410689 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.0410689 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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