| CAS Number | 134168-98-2 |
| Catalog Number | AG009X35(AGN-PC-0WA89T) |
| Chemical Name | Benzenamine, 3-bromo-5-fluoro-, hydrochloride (1:1) |
| IUPAC Name | 3-bromo-5-fluoroaniline;hydrochloride |
| InChI | InChI=1S/C6H5BrFN.ClH/c7-4-1-5(8)3-6(9)2-4;/h1-3H,9H2;1H |
| InChI Key | IYLVIUQZBNIGQI-UHFFFAOYSA-N |
| MDL Number | MFCD09800744 |
| Molecular Formula | C6H6BrClFN |
| Molecular Weight | 226.4739 |
| SMILES | Cl.NC1=CC(Br)=CC(F)=C1 |
| Synonyms | 3-bromo-5-fluoroaniline hydrochloride,
134168-98-2,
3-Bromo-5-fluoroaniline HCl,
5-Amino-1-bromo-3-fluorobenzene hydrochloride,
SCHEMBL3709043,
CTK7D5854,
IYLVIUQZBNIGQI-UHFFFAOYSA-N,
AKOS005259199,
MCULE-6692639740,
NE49002,
Z9747,
5-Amino-1-bromo-3-fluorobenzene; hydrochloride,
Z1276751391,
C6H5BrFN.HCl,
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| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.473g/mol |
| Monoisotopic Mass | 224.936g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number