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1220630-83-0 | Benzonitrile, 3-amino-4-(trifluoromethyl)-
CAS No: 1220630-83-0 Catalog No: AG0016P0 MDL No:MFCD18072580
Product Description
Catalog Number:
AG0016P0
Chemical Name:
Benzonitrile, 3-amino-4-(trifluoromethyl)-
CAS Number:
1220630-83-0
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD18072580
IUPAC Name:
3-amino-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3H,13H2
InChI Key:
CZYRYIJZODSVTK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)C(F)(F)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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