rac 1-(5-Bromo-2-fluorophenyl)ethane-1,2-diamine - CAS 1089352-42-0
Catalog: |
BB062076 |
Product Name: |
rac 1-(5-Bromo-2-fluorophenyl)ethane-1,2-diamine |
CAS: |
1089352-42-0 |
Synonyms: |
1-(5-BROMO-2-FLUOROPHENYL)ETHANE-1,2-DIAMINE HYDROCHLORIDE |
IUPAC Name: | 1-(5-bromo-2-fluorophenyl)ethane-1,2-diaminehydrochloride |
Molecular Weight: | 233.08 |
Molecular Formula: | C8H10BrFN2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(CN)N)F.Cl |
InChI: | InChI=1S/C8H10BrFN2.ClH/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8H,4,11-12H21H |
InChI Key: | FKMUJNFVOPZNKA-UHFFFAOYSA-N |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.97782 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.97782 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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