Methyl 3-(1,2,4-triazol-1-yl)benzoate - CAS 167626-27-9
Catalog: |
BB012404 |
Product Name: |
Methyl 3-(1,2,4-triazol-1-yl)benzoate |
CAS: |
167626-27-9 |
Synonyms: |
3-(1,2,4-triazol-1-yl)benzoic acid methyl ester; methyl 3-(1,2,4-triazol-1-yl)benzoate |
IUPAC Name: | methyl 3-(1,2,4-triazol-1-yl)benzoate |
Description: | Methyl 3-(1,2,4-triazol-1-yl)benzoate (CAS# 167626-27-9) is a useful research chemical. |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H9N3O2 |
Canonical SMILES: | COC(=O)C1=CC(=CC=C1)N2C=NC=N2 |
InChI: | InChI=1S/C10H9N3O2/c1-15-10(14)8-3-2-4-9(5-8)13-7-11-6-12-13/h2-7H,1H3 |
InChI Key: | NKGYSGGAEUCELQ-UHFFFAOYSA-N |
Boiling Point: | 382.161 °C at 760 mmHg |
Density: | 1.272 g/cm3 |
LogP: | 1.05390 |
Publication Number | Title | Priority Date |
RU-45093-U1 | Dust collector | 20041019 |
AU-2002310912-B2 | Dihydro-benzo[b][1,4]diazepin-2-one derivatives as mGluR2 antagonists I | 20010412 |
AU-2002312788-B2 | Dihydro-benzo [b] [1, 4] diazepin-2-one derivatives as mGluR2 antagonists II | 20010412 |
BG-108254-A | DIAZHYDRO-BENZO [b] [1,4] DIAZEPIN-2-ONE AS MGLUR2 ANTAGONISTS II | 20010412 |
CA-2441771-C | Dihydro-benzo[b][1,4]diazepin-2-one derivatives as mglur2 antagonists i | 20010412 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.069476538 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
-
[332360-02-8]
Mitoguazone dihydrochloride monohydrate
-
[33229-34-4]
2,2'-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol
-
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-
-
[471915-89-6]
N-(3,4-Dihydroxyphenethyl)methacrylamide
-
[2874-73-9]
2,2-dimethyldodecanoic Acid
-
[1643-20-5]
N,N-dimethyldodecan-1-amine oxide
INDUSTRY LEADERS TRUST OUR PRODUCTS