Home Nitriles 3-(3-fluoro-4-methoxyphenyl)propanenitrile

3-(3-fluoro-4-methoxyphenyl)propanenitrile

CAS No.:
1249068-66-3
Catalog Number:
AG01B667
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
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Product Description
Catalog Number:
AG01B667
Chemical Name:
3-(3-fluoro-4-methoxyphenyl)propanenitrile
CAS Number:
1249068-66-3
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
MDL Number:
MFCD14654381
IUPAC Name:
3-(3-fluoro-4-methoxyphenyl)propanenitrile
InChI:
InChI=1S/C10H10FNO/c1-13-10-5-4-8(3-2-6-12)7-9(10)11/h4-5,7H,2-3H2,1H3
InChI Key:
KPDMMCJTGMZNOK-UHFFFAOYSA-N
SMILES:
N#CCCc1ccc(c(c1)F)OC
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.194g/mol
Monoisotopic Mass:
179.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties