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Home > Fluorides > 261951-92-2
261951-92-2 | Benzonitrile, 2-methyl-4-(trifluoromethoxy)-
CAS No: 261951-92-2 Catalog No: AG002S69 MDL No:MFCD01631543
Product Description
Catalog Number:
AG002S69
Chemical Name:
Benzonitrile, 2-methyl-4-(trifluoromethoxy)-
CAS Number:
261951-92-2
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD01631543
IUPAC Name:
2-methyl-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-6-4-8(14-9(10,11)12)3-2-7(6)5-13/h2-4H,1H3
InChI Key:
ZCRRKTDVMVDQTD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C)OC(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:
3.2
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