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1220630-86-3 | Benzonitrile, 3-amino-4-(trifluoromethoxy)-
CAS No: 1220630-86-3 Catalog No: AG0016OZ MDL No:MFCD09745166
Product Description
Catalog Number:
AG0016OZ
Chemical Name:
Benzonitrile, 3-amino-4-(trifluoromethoxy)-
CAS Number:
1220630-86-3
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
MDL Number:
MFCD09745166
IUPAC Name:
3-amino-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H5F3N2O/c9-8(10,11)14-7-2-1-5(4-12)3-6(7)13/h1-3H,13H2
InChI Key:
BSQURZRBBZTFKZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)OC(F)(F)F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.136g/mol
Monoisotopic Mass:
202.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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