2-Amino-5-methylphenylboronic acid - CAS 948592-72-1
Catalog: |
BB074412 |
Product Name: |
2-Amino-5-methylphenylboronic acid |
CAS: |
948592-72-1 |
Synonyms: |
2-amino-5-methylphenylboronic acid; (2-amino-5-methylphenyl)boronic acid; (2-amino-5-methylphenyl)boronicacid; (2-amino-5-methyl-phenyl)boronic acid |
IUPAC Name: | (2-amino-5-methylphenyl)boronic acid |
Description: | 2-Amino-5-methylphenylboronic acid |
Molecular Weight: | 150.97 |
Molecular Formula: | C7H10BNO2 |
Canonical SMILES: | B(C1=C(C=CC(=C1)C)N)(O)O |
InChI: | InChI=1S/C7H10BNO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,9H2,1H3 |
InChI Key: | JHMCGZZYTNWAQS-UHFFFAOYSA-N |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0804587 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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