2-(2-Bromophenyl)-2-methylpropanenitrile - CAS 57775-06-1
Catalog: |
BB071296 |
Product Name: |
2-(2-Bromophenyl)-2-methylpropanenitrile |
CAS: |
57775-06-1 |
Synonyms: |
2-(2-Bromophenyl)-2-methylpropanenitrile |
IUPAC Name: | 2-(2-bromophenyl)-2-methylpropanenitrile |
Description: | 2-(2-Bromophenyl)-2-methylpropanenitrile |
Molecular Weight: | 224.1 |
Molecular Formula: | C10H10BrN |
Canonical SMILES: | CC(C)(C#N)C1=CC=CC=C1Br |
InChI: | InChI=1S/C10H10BrN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3 |
InChI Key: | YTUDHLARHDCOIR-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.99966 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.99966 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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