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1157057-81-2 | Benzonitrile, 3-fluoro-4-(methylamino)-
CAS No: 1157057-81-2 Catalog No: AG000GRM MDL No:MFCD12109949
Product Description
Catalog Number:
AG000GRM
Chemical Name:
Benzonitrile, 3-fluoro-4-(methylamino)-
CAS Number:
1157057-81-2
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
MDL Number:
MFCD12109949
IUPAC Name:
3-fluoro-4-(methylamino)benzonitrile
InChI:
InChI=1S/C8H7FN2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,1H3
InChI Key:
SNOXQSJLHWBCBF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)NC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.156g/mol
Monoisotopic Mass:
150.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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