C1=CC(=C(C=C1Br)C#N)F
CAS: 179897-89-3
Name: 5-bromo-2-fluorobenzonitrile
SMILES: C1=CC(=C(C=C1Br)C#N)F

Molecular Processing

Molecular formula
C7H3BrFN
Molecular weight
200.01
Exact mass
198.9433
XLogP
2.46
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.82

Supplementary Information

InChIKey: GYCNHFWRPJXTSB-UHFFFAOYSA-N
Synonyme
5-Bromo-2-fluorobenzonitrile179897-89-3DTXSID10369276RefChem:533218DTXCID60320312605-873-7Benzonitrile, 5-bromo-2-fluoro-2-FLUORO-5-BROMOBENZONITRILEMFCD001434243-CYANO-4-FLUOROBROMOBENZENE5-bromo-2-fluorobenzenecarbonitrile3-cyano-4-fluoro-bromobenzene5-bromo-2-fluoro-benzonitrile2-fluoro5-bromobenzonitrile3-cyano-4-flurobromobenzeneGHT9224HTHSCHEMBL801533-bromo-6-fluorobenzonitrileSCHEMBL294396023-bromo-6-fluorobenzenecarbonitrileCS-D09965-Bromo-2-fluorobenzonitrile, 97%SBB063634AKOS005254287AC-3080PS-8214BP-12095SY003785DB-023783B2425
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