Home Halogens 2-(3-Aminophenyl)-6-bromoquinoline-4-carboxylic acid

2-(3-Aminophenyl)-6-bromoquinoline-4-carboxylic acid

CAS No.:
438531-42-1
Catalog Number:
AG00DAJB
Molecular Formula:
C16H11BrN2O2
Molecular Weight:
343.1747
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$552
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Product Description
Catalog Number:
AG00DAJB
Chemical Name:
2-(3-Aminophenyl)-6-bromoquinoline-4-carboxylic acid
CAS Number:
438531-42-1
Molecular Formula:
C16H11BrN2O2
Molecular Weight:
343.1747
MDL Number:
MFCD02055898
IUPAC Name:
2-(3-aminophenyl)-6-bromoquinoline-4-carboxylic acid
InChI:
InChI=1S/C16H11BrN2O2/c17-10-4-5-14-12(7-10)13(16(20)21)8-15(19-14)9-2-1-3-11(18)6-9/h1-8H,18H2,(H,20,21)
InChI Key:
GYFAFNQNGQBBHE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(cc(n2)c1cccc(c1)N)C(=O)O
Properties
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
343.18g/mol
Monoisotopic Mass:
342g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
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