1-(4-Bromo-3-methylphenyl)cyclopropane-1-carbonitrile - CAS 1314760-71-8
Catalog: |
BB071350 |
Product Name: |
1-(4-Bromo-3-methylphenyl)cyclopropane-1-carbonitrile |
CAS: |
1314760-71-8 |
Synonyms: |
1-(4-Bromo-3-methylphenyl)cyclopropane-1-carbonitrile; 1-(4-Bromo-3-methylphenyl)cyclopropanecarbonitrile |
IUPAC Name: | 1-(4-bromo-3-methylphenyl)cyclopropane-1-carbonitrile |
Description: | 1-(4-Bromo-3-methylphenyl)cyclopropane-1-carbonitrile |
Molecular Weight: | 236.11 |
Molecular Formula: | C11H10BrN |
Canonical SMILES: | CC1=C(C=CC(=C1)C2(CC2)C#N)Br |
InChI: | InChI=1S/C11H10BrN/c1-8-6-9(2-3-10(8)12)11(7-13)4-5-11/h2-3,6H,4-5H2,1H3 |
InChI Key: | XAIQSXRKYAMDRT-UHFFFAOYSA-N |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.99966 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.99966 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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