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1147558-43-7 | Benzonitrile, 4-amino-3-chloro-5-fluoro-
CAS No: 1147558-43-7 Catalog No: AG000F5X MDL No:MFCD18426013
Product Description
Catalog Number:
AG000F5X
Chemical Name:
Benzonitrile, 4-amino-3-chloro-5-fluoro-
CAS Number:
1147558-43-7
Molecular Formula:
C7H4ClFN2
Molecular Weight:
170.5715
MDL Number:
MFCD18426013
IUPAC Name:
4-amino-3-chloro-5-fluorobenzonitrile
InChI:
InChI=1S/C7H4ClFN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChI Key:
BWAFIBAPFADXHV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)Cl)N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.571g/mol
Monoisotopic Mass:
170.005g/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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