3-Amino-2-bromobenzonitrile - CAS 1166988-09-5
Catalog: |
BB003799 |
Product Name: |
3-Amino-2-bromobenzonitrile |
CAS: |
1166988-09-5 |
Synonyms: |
3-amino-2-bromobenzonitrile; 3-amino-2-bromobenzonitrile |
IUPAC Name: | 3-amino-2-bromobenzonitrile |
Description: | 3-Amino-2-bromobenzonitrile (CAS# 1166988-09-5) is a useful research chemical. |
Molecular Weight: | 197.03 |
Molecular Formula: | C7H5BrN2 |
Canonical SMILES: | C1=CC(=C(C(=C1)N)Br)C#N |
InChI: | InChI=1S/C7H5BrN2/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,10H2 |
InChI Key: | LZGRGCJYIIGEQV-UHFFFAOYSA-N |
LogP: | 2.48418 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2012126711-A | Medicine containing tetracyclic compound | 20101122 |
JP-5006987-B2 | Medicine containing tetracyclic compound | 20101122 |
AU-2010259588-A1 | Tetracyclic compound | 20090610 |
AU-2010259588-B2 | Tetracyclic compound | 20090610 |
CA-2764653-A1 | Tetracyclic compounds | 20090610 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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