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Home > Fluorides > 1003708-42-6
1003708-42-6 | Benzonitrile, 3-fluoro-5-formyl-
CAS No: 1003708-42-6 Catalog No: AG0001R2 MDL No:MFCD04974123
Product Description
Catalog Number:
AG0001R2
Chemical Name:
Benzonitrile, 3-fluoro-5-formyl-
CAS Number:
1003708-42-6
Molecular Formula:
C8H4FNO
Molecular Weight:
149.1219
MDL Number:
MFCD04974123
IUPAC Name:
3-fluoro-5-formylbenzonitrile
InChI:
InChI=1S/C8H4FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChI Key:
MJDZWYNXMPFSJE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)cc(c1)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.124g/mol
Monoisotopic Mass:
149.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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