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2-chloro-6-fluoro-3-methylbenzamide

2-chloro-6-fluoro-3-methylbenzamide

CAS: 286474-60-0

Formula: C8H7ClFNO

SMILES: CC1=C(Cl)C(C(N)=O)=C(F)C=C1

IUPAC: 2-chloro-6-fluoro-3-methylbenzamide

InChI: InChI=1S/C8H7ClFNO/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H2,11,12)

Composition: C (51.22%), H (3.76%), Cl (18.90%), F (10.13%), N (7.47%), O (8.53%)

Molar Mass: 187.6

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.0200197
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey BYVRYIYAFIMINQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.2
Topological Polar Surface Area 43.09
Polarizability 16.6
Ring Count 1
Rotatable Bond Count 1

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