Home Other Building Blocks 3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-5-(trifluoromethyl)benzoic acid

3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-5-(trifluoromethyl)benzoic acid

CAS No.:
1292238-13-1
Catalog Number:
AG01BFP0
Molecular Formula:
C10H7F3N4O2
Molecular Weight:
272.1834
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Product Description
Catalog Number:
AG01BFP0
Chemical Name:
3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-5-(trifluoromethyl)benzoic acid
CAS Number:
1292238-13-1
Molecular Formula:
C10H7F3N4O2
Molecular Weight:
272.1834
MDL Number:
MFCD13293244
IUPAC Name:
3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C10H7F3N4O2/c1-5-14-15-16-17(5)8-3-6(9(18)19)2-7(4-8)10(11,12)13/h2-4H,1H3,(H,18,19)
InChI Key:
XORZRGFSFQOHPN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)n1nnnc1C
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.052g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.187g/mol
Monoisotopic Mass:
272.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties