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Home Halogens 7,8-Dichloro-1,4-dihydroquinolin-4-one

7,8-Dichloro-1,4-dihydroquinolin-4-one

CAS No.:
871217-91-3
Catalog Number:
AG004OTT
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
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Purity
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1g
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2.5g
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5g
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10g
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25g
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50g
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Product Description
Catalog Number:
AG004OTT
Chemical Name:
7,8-Dichloro-1,4-dihydroquinolin-4-one
CAS Number:
871217-91-3
Molecular Formula:
C9H5Cl2NO
Molecular Weight:
214.0481
MDL Number:
MFCD00272453
IUPAC Name:
7,8-dichloro-1H-quinolin-4-one
InChI:
InChI=1S/C9H5Cl2NO/c10-6-2-1-5-7(13)3-4-12-9(5)8(6)11/h1-4H,(H,12,13)
InChI Key:
BAKZFDCDUQGTCL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1Cl)[nH]ccc2=O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.975g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.045g/mol
Monoisotopic Mass:
212.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties