4-(2-Methyl-2H-tetrazol-5-yl)benzoic acid - CAS 211942-53-9
Catalog: |
BB016678 |
Product Name: |
4-(2-Methyl-2H-tetrazol-5-yl)benzoic acid |
CAS: |
211942-53-9 |
Synonyms: |
4-(2-methyltetrazol-5-yl)benzoic acid |
IUPAC Name: | 4-(2-methyltetrazol-5-yl)benzoic acid |
Description: | 4-(2-Methyl-2H-tetrazol-5-yl)benzoic acid (CAS# 211942-53-9 ) is a useful research chemical. |
Molecular Weight: | 204.19 |
Molecular Formula: | C9H8N4O2 |
Canonical SMILES: | CN1N=C(N=N1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C9H8N4O2/c1-13-11-8(10-12-13)6-2-4-7(5-3-6)9(14)15/h2-5H,1H3,(H,14,15) |
InChI Key: | UIFGGGQNSDTGGO-UHFFFAOYSA-N |
Boiling Point: | 439.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.46 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06000698 |
LogP: | 0.57530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018339068-A1 | Combination pharmaceutical agents as RSV inhibitors | 20170929 |
TW-201919640-A | Combination agent as an RSV inhibitor | 20170929 |
US-2019192535-A1 | Combination pharmaceutical agents as rsv inhibitors | 20170929 |
WO-2019067864-A1 | PHARMACEUTICAL AGENTS IN COMBINATION AS INHIBITORS OF RSV | 20170929 |
BR-112020006334-A2 | combination of pharmaceutical agents as rsv inhibitors | 20170929 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.06472551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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