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Home > Fluorides > 1003708-50-6
1003708-50-6 | Benzonitrile, 2,4,5-trifluoro-3-methoxy-6-methyl-
CAS No: 1003708-50-6 Catalog No: AG0001R1 MDL No:MFCD18381421
Product Description
Catalog Number:
AG0001R1
Chemical Name:
Benzonitrile, 2,4,5-trifluoro-3-methoxy-6-methyl-
CAS Number:
1003708-50-6
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD18381421
IUPAC Name:
2,4,5-trifluoro-3-methoxy-6-methylbenzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-4-5(3-13)7(11)9(14-2)8(12)6(4)10/h1-2H3
InChI Key:
VBCAQXLEKXMZGX-UHFFFAOYSA-N
SMILES:
COc1c(F)c(C#N)c(c(c1F)F)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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