3-(1-Tetrazolyl)benzoic Acid - CAS 204196-80-5
Catalog: |
BB015909 |
Product Name: |
3-(1-Tetrazolyl)benzoic Acid |
CAS: |
204196-80-5 |
Synonyms: |
3-(1-tetrazolyl)benzoic acid; 3-(tetrazol-1-yl)benzoic acid |
IUPAC Name: | 3-(tetrazol-1-yl)benzoic acid |
Description: | 3-(1-Tetrazolyl)benzoic Acid (CAS# 204196-80-5) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C8H6N4O2 |
Canonical SMILES: | C1=CC(=CC(=C1)N2C=NN=N2)C(=O)O |
InChI: | InChI=1S/C8H6N4O2/c13-8(14)6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,(H,13,14) |
InChI Key: | UNTMKIYQHROFCP-UHFFFAOYSA-N |
MDL: | MFCD00019996 |
LogP: | 0.36050 |
Publication Number | Title | Priority Date |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065614-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164458-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856179-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.04907545 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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