Home Nitriles 3-[(dimethylamino)methyl]-4-fluorobenzonitrile

3-[(dimethylamino)methyl]-4-fluorobenzonitrile

CAS No.:
1016834-55-1
Catalog Number:
AG01AHMT
Molecular Formula:
C10H11FN2
Molecular Weight:
178.2061
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Product Description
Catalog Number:
AG01AHMT
Chemical Name:
3-[(dimethylamino)methyl]-4-fluorobenzonitrile
CAS Number:
1016834-55-1
Molecular Formula:
C10H11FN2
Molecular Weight:
178.2061
MDL Number:
MFCD09936472
IUPAC Name:
3-[(dimethylamino)methyl]-4-fluorobenzonitrile
InChI:
InChI=1S/C10H11FN2/c1-13(2)7-9-5-8(6-12)3-4-10(9)11/h3-5H,7H2,1-2H3
InChI Key:
UILQPNGITRPREJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)CN(C)C)F
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.091g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.21g/mol
Monoisotopic Mass:
178.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties