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4-amino-2-fluoro-N-methylbenzamide

4-amino-2-fluoro-N-methylbenzamide

CAS: 915087-25-1

Formula: C8H9FN2O

SMILES: CNC(=O)C1=C(F)C=C(N)C=C1

IUPAC: 4-amino-2-fluoro-N-methylbenzamide

InChI: InChI=1S/C8H9FN2O/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3,(H,11,12)

Composition: C (57.14%), H (5.39%), F (11.30%), N (16.66%), O (9.51%)

Molar Mass: 168.171

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.069891081
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XOKAXPQJUODMSH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.95
Topological Polar Surface Area 55.12
Polarizability 15.86
Ring Count 1
Rotatable Bond Count 1

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