CAS: 114897-91-5
名称: 2-(4-bromo-2-fluorophenyl)acetonitrile
SMILES:
C1=CC(=C(C=C1Br)F)CC#NMolecular Processing
Molecular formula
C8H5BrFN
Molecular weight
214.04
Exact mass
212.9589
XLogP
2.65
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
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
0.125
Molar refractivity
43.42
Supplementary Information
InChIKey: QLASQEZPJFNZQC-UHFFFAOYSA-N
同義語
2-(4-bromo-2-fluorophenyl)acetonitrileRefChem:456922640-324-5114897-91-54-Bromo-2-fluorobenzyl cyanide4-BROMO-2-FLUOROPHENYLACETONITRILEBenzeneacetonitrile, 4-bromo-2-fluoro-(4-bromo-2-fluorophenyl)acetonitrileMFCD073686532-(4-bromo-2-fluoro-phenyl)acetonitrile4-Bromo-2-fluorobenzylcyanide2-Fluoro-4-bromophenylacetonitrile2-(4-bromo-2-fluorophenyl)ethanenitrileSCHEMBL5825SCHEMBL296094154-bromo-2-fluoro benzyl cyanideDTXSID10428296QLASQEZPJFNZQC-UHFFFAOYSA-NSBB055287(4-bromo-2-fluorophenyl) acetonitrileAKOS005265022CS-W003384PS-7967(4-Bromo-2-fluoro-phenyl)-acetonitrileSY011272DB-316317ST50949925EN300-86194F047142
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