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34636-92-5 | 2-Methoxy-5-(trifluoromethyl)benzonitrile
CAS No: 34636-92-5 Catalog No: AG003HJ6 MDL No:MFCD06409082
Product Description
Catalog Number:
AG003HJ6
Chemical Name:
2-Methoxy-5-(trifluoromethyl)benzonitrile
CAS Number:
34636-92-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD06409082
IUPAC Name:
2-methoxy-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-14-8-3-2-7(9(10,11)12)4-6(8)5-13/h2-4H,1H3
InChI Key:
KAJZODLWVHKBSI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1OC)C(F)(F)F
Properties
Complexity:
242
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:
2.5
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