2-Methyl-4-(1H-pyrazol-1-yl)benzaldehyde - CAS 1015845-89-2
Catalog: |
BB000553 |
Product Name: |
2-Methyl-4-(1H-pyrazol-1-yl)benzaldehyde |
CAS: |
1015845-89-2 |
Synonyms: |
2-methyl-4-pyrazol-1-ylbenzaldehyde |
IUPAC Name: | 2-methyl-4-pyrazol-1-ylbenzaldehyde |
Description: | 2-Methyl-4-(1H-pyrazol-1-yl)benzaldehyde (CAS# 1015845-89-2) is a useful research chemical. |
Molecular Weight: | 186.21 |
Molecular Formula: | C11H10N2O |
Canonical SMILES: | CC1=C(C=CC(=C1)N2C=CC=N2)C=O |
InChI: | InChI=1S/C11H10N2O/c1-9-7-11(4-3-10(9)8-14)13-6-2-5-12-13/h2-8H,1H3 |
InChI Key: | KDHRBBGULNYWMM-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Yellow solid |
MDL: | MFCD08059904 |
LogP: | 1.99320 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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