4-Bromo-2-isopropylaniline - CAS 81090-34-8
Catalog: |
BB072191 |
Product Name: |
4-Bromo-2-isopropylaniline |
CAS: |
81090-34-8 |
Synonyms: |
(4-Bromo-2-isopropylphenyl)amine |
IUPAC Name: | 4-bromo-2-propan-2-ylaniline |
Molecular Weight: | 214.1 |
Molecular Formula: | C9H12BrN |
Canonical SMILES: | CC(C)C1=C(C=CC(=C1)Br)N |
InChI: | InChI=1S/C9H12BrN/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6H,11H2,1-2H3 |
InChI Key: | PDLOJYJGXWKSQW-UHFFFAOYSA-N |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.01531 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.01531 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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