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126674-94-0 | Benzonitrile, 2-amino-3,5-difluoro-
CAS No: 126674-94-0 Catalog No: AG000T33 MDL No:MFCD18826239
Product Description
Catalog Number:
AG000T33
Chemical Name:
Benzonitrile, 2-amino-3,5-difluoro-
CAS Number:
126674-94-0
Molecular Formula:
C7H4F2N2
Molecular Weight:
154.1169
MDL Number:
MFCD18826239
IUPAC Name:
2-amino-3,5-difluorobenzonitrile
InChI:
InChI=1S/C7H4F2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChI Key:
CNKCTXYYABVMLS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1N)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.12g/mol
Monoisotopic Mass:
154.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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