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methyl 2-fluoro-3-formylbenzoate

methyl 2-fluoro-3-formylbenzoate

CAS: 1262419-96-4

Formula: C9H7FO3

SMILES: COC(=O)C1=CC=CC(C=O)=C1F

IUPAC: methyl 2-fluoro-3-formylbenzoate

InChI: InChI=1S/C9H7FO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,1H3

Composition: C (59.35%), H (3.87%), F (10.43%), O (26.35%)

Molar Mass: 182.15

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.037922248
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NIMOWSMVLXMDSE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.88
Topological Polar Surface Area 43.37
Polarizability 16.42
Ring Count 1
Rotatable Bond Count 3

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