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Home > Fluorides > 1379029-46-5
1379029-46-5 | 3-(4-Fluoro-2-methyl-phenoxy)propanenitrile
CAS No: 1379029-46-5 Catalog No: AG01FAY9 MDL No:
Product Description
Catalog Number:
AG01FAY9
Chemical Name:
3-(4-Fluoro-2-methyl-phenoxy)propanenitrile
CAS Number:
1379029-46-5
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
IUPAC Name:
3-(4-fluoro-2-methylphenoxy)propanenitrile
InChI:
InChI=1S/C10H10FNO/c1-8-7-9(11)3-4-10(8)13-6-2-5-12/h3-4,7H,2,6H2,1H3
InChI Key:
IWZDCCBHBNZBPF-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1C)F
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:
2
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