Home Nitriles 4-[(ethylamino)methyl]-3-fluorobenzonitrile hydrochloride

4-[(ethylamino)methyl]-3-fluorobenzonitrile hydrochloride

CAS No.:
1258652-48-0
Catalog Number:
AG01ABCW
Molecular Formula:
C10H12ClFN2
Molecular Weight:
214.6671
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Product Description
Catalog Number:
AG01ABCW
Chemical Name:
4-[(ethylamino)methyl]-3-fluorobenzonitrile hydrochloride
CAS Number:
1258652-48-0
Molecular Formula:
C10H12ClFN2
Molecular Weight:
214.6671
MDL Number:
MFCD17977126
IUPAC Name:
4-(ethylaminomethyl)-3-fluorobenzonitrile;hydrochloride
InChI:
InChI=1S/C10H11FN2.ClH/c1-2-13-7-9-4-3-8(6-12)5-10(9)11;/h3-5,13H,2,7H2,1H3;1H
InChI Key:
BLZKHCVGOPBMSA-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1F)C#N.Cl
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.668g/mol
Monoisotopic Mass:
214.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties