sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]butanoic acid

2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]butanoic acid

CAS No.:
436096-42-3
Catalog Number:
AG019P6H
Molecular Formula:
C11H11ClN4O2
Molecular Weight:
266.6836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019P6H
Chemical Name:
2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]butanoic acid
CAS Number:
436096-42-3
Molecular Formula:
C11H11ClN4O2
Molecular Weight:
266.6836
MDL Number:
MFCD04035473
IUPAC Name:
2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoic acid
InChI:
InChI=1S/C11H11ClN4O2/c1-2-9(11(17)18)16-14-10(13-15-16)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H,17,18)
InChI Key:
DLNRSUKGPPULMW-UHFFFAOYSA-N
SMILES:
CCC(n1nnc(n1)c1ccc(cc1)Cl)C(=O)O
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.057g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.685g/mol
Monoisotopic Mass:
266.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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