7-Bromo-1-isopropylbenzotriazole-5-carbonitrile - CAS 1437794-89-2
Catalog: |
BB071407 |
Product Name: |
7-Bromo-1-isopropylbenzotriazole-5-carbonitrile |
CAS: |
1437794-89-2 |
Synonyms: |
7-Bromo-1-isopropylbenzotriazole-5-carbonitrile; 7-bromo-1-propan-2-ylbenzotriazole-5-carbonitrile; 1H-Benzotriazole-5-carbonitrile, 7-bromo-1-(1-methylethyl)- |
IUPAC Name: | 7-bromo-1-propan-2-ylbenzotriazole-5-carbonitrile |
Description: | 7-Bromo-1-isopropylbenzotriazole-5-carbonitrile |
Molecular Weight: | 265.1 |
Molecular Formula: | C10H9BrN4 |
Canonical SMILES: | CC(C)N1C2=C(C=C(C=C2Br)C#N)N=N1 |
InChI: | InChI=1S/C10H9BrN4/c1-6(2)15-10-8(11)3-7(5-12)4-9(10)13-14-15/h3-4,6H,1-2H3 |
InChI Key: | GEPGOLFFQHICDX-UHFFFAOYSA-N |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.00106 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.00106 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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