| CAS Number | 1360934-00-4 |
| Catalog Number | AG00HUGE(AGN-PC-0WQVJE) |
| Chemical Name | 7-Bromo-5-chloro-1H-benzimidazole |
| IUPAC Name | 4-bromo-6-chloro-1H-benzimidazole |
| InChI | InChI=1S/C7H4BrClN2/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H,(H,10,11) |
| InChI Key | RHDGVHIUGAGINX-UHFFFAOYSA-N |
| MDL Number | MFCD22558144 |
| Molecular Formula | C7H4BrClN2 |
| Molecular Weight | 231.4771 |
| SMILES | ClC1=CC(Br)=C2C(N=CN2)=C1 |
| Synonyms | 1360934-00-4,
4-Bromo-6-chloro-3H-1,3-benzodiazole,
7-Bromo-5-chloro-1H-benzimidazole,
4-Bromo-6-chloro-1H-benzo[d]imidazole,
1H-Benzimidazole, 7-bromo-5-chloro-,
SCHEMBL14916775,
RHDGVHIUGAGINX-UHFFFAOYSA-N,
CS-M3577,
AKOS025136062,
ZINC170591036,
4-bromo-6-chloro-1H-1,3-benzodiazole,
7-bromo-5-chloro-1H-1,3-benzodiazole,
CS-15102,
DA-45683,
FT-0734589,
Z2010010281,
7-bromo-5-chloro-1H-benzo[d]imidazole,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.477g/mol |
| Monoisotopic Mass | 229.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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