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Home > Fluorides > 198203-94-0
198203-94-0 | Benzonitrile, 2-fluoro-3-methoxy-
CAS No: 198203-94-0 Catalog No: AG002BCY MDL No:MFCD09839223
Product Description
Catalog Number:
AG002BCY
Chemical Name:
Benzonitrile, 2-fluoro-3-methoxy-
CAS Number:
198203-94-0
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD09839223
IUPAC Name:
2-fluoro-3-methoxybenzonitrile
InChI:
InChI=1S/C8H6FNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3
InChI Key:
MTZXEJOKWAFGGH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1F)C#N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.14g/mol
Monoisotopic Mass:
151.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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