4-[(1,2,4-Triazol-1-yl)methyl]phenylboronic Acid - CAS 1333344-76-5
Catalog: |
BB007734 |
Product Name: |
4-[(1,2,4-Triazol-1-yl)methyl]phenylboronic Acid |
CAS: |
1333344-76-5 |
Synonyms: |
[4-(1,2,4-triazol-1-ylmethyl)phenyl]boronic acid; [4-(1,2,4-triazol-1-ylmethyl)phenyl]boronic acid |
IUPAC Name: | [4-(1,2,4-triazol-1-ylmethyl)phenyl]boronic acid |
Description: | 4-[(1,2,4-Triazol-1-yl)methyl]phenylboronic Acid (CAS# 1333344-76-5 ) is a useful research chemical. |
Molecular Weight: | 203.01 |
Molecular Formula: | C9H10N3O2B |
Canonical SMILES: | B(C1=CC=C(C=C1)CN2C=NC=N2)(O)O |
InChI: | InChI=1S/C9H10BN3O2/c14-10(15)9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7,14-15H,5H2 |
InChI Key: | NFYSBAQKJZLSRL-UHFFFAOYSA-N |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.0866067 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.0866067 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 71.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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