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Home > Fluorides > 1153103-84-4
1153103-84-4 | Benzonitrile, 3-fluoro-4-(1-methylethoxy)-
CAS No: 1153103-84-4 Catalog No: AG000GKQ MDL No:
Product Description
Catalog Number:
AG000GKQ
Chemical Name:
Benzonitrile, 3-fluoro-4-(1-methylethoxy)-
CAS Number:
1153103-84-4
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
IUPAC Name:
3-fluoro-4-propan-2-yloxybenzonitrile
InChI:
InChI=1S/C10H10FNO/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-5,7H,1-2H3
InChI Key:
XVJJUVGWMZNQKZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)OC(C)C
Properties
Complexity:
208
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:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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