4-(4-Bromopyrazol-1-yl)benzaldehyde - CAS 1174064-63-1
Catalog: |
BB055360 |
Product Name: |
4-(4-Bromopyrazol-1-yl)benzaldehyde |
CAS: |
1174064-63-1 |
Synonyms: |
4-(4-Bromo-1H-pyrazol-1-yl)-benzaldehyde |
IUPAC Name: | 4-(4-bromopyrazol-1-yl)benzaldehyde |
Description: | 4-(4-Bromopyrazol-1-yl)benzaldehyde |
Molecular Weight: | 251.08 |
Molecular Formula: | C10H7BrN2O |
Canonical SMILES: | C1=CC(=CC=C1C=O)N2C=C(C=N2)Br |
InChI: | InChI=1S/C10H7BrN2O/c11-9-5-12-13(6-9)10-3-1-8(7-14)2-4-10/h1-7H |
InChI Key: | WRORMQDKQSKVFB-UHFFFAOYSA-N |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.97418 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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