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1321-37-5 | Quinolinol, chloro-
CAS No: 1321-37-5 Catalog No: AG00107J MDL No:
Product Description
Catalog Number:
AG00107J
Chemical Name:
Quinolinol, chloro-
CAS Number:
1321-37-5
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
IUPAC Name:
3-chloro-1H-quinolin-2-one
InChI:
InChI=1S/C9H6ClNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,(H,11,12)
InChI Key:
UXKKFPGAZIINBX-UHFFFAOYSA-N
SMILES:
Clc1cc2ccccc2nc1O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Chloroxoquinoline in combination with epirubicin, cisplatin and 5-fluorouracil in metastatic gastric cancer. | Hepato-gastroenterology 20090101 |
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