sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks propan-2-yl 3-(2H-1,2,3,4-tetrazol-5-yl)benzoate

propan-2-yl 3-(2H-1,2,3,4-tetrazol-5-yl)benzoate

CAS No.:
867329-89-3
Catalog Number:
AG019OL6
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019OL6
Chemical Name:
propan-2-yl 3-(2H-1,2,3,4-tetrazol-5-yl)benzoate
CAS Number:
867329-89-3
Molecular Formula:
C11H12N4O2
Molecular Weight:
232.2386
MDL Number:
MFCD07339526
IUPAC Name:
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
InChI:
InChI=1S/C11H12N4O2/c1-7(2)17-11(16)9-5-3-4-8(6-9)10-12-14-15-13-10/h3-7H,1-2H3,(H,12,13,14,15)
InChI Key:
LYCQNVMHUDDPDI-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1cccc(c1)c1n[nH]nn1)C
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.243g/mol
Monoisotopic Mass:
232.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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