5-(3-chloro-4-fluorophenoxymethyl)furan-2-carbaldehyde

5-(3-chloro-4-fluorophenoxymethyl)furan-2-carbaldehyde

CAS: 438220-83-8

Formula: C12H8ClFO3

SMILES: FC1=CC=C(OCC2=CC=C(O2)C=O)C=C1Cl

IUPAC: 5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-carbaldehyde

InChI: InChI=1S/C12H8ClFO3/c13-11-5-8(3-4-12(11)14)16-7-10-2-1-9(6-15)17-10/h1-6H,7H2

Composition: C (56.60%), H (3.17%), Cl (13.92%), F (7.46%), O (18.85%)

Molar Mass: 254.64

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.0146
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KVTYPJATRARWFR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.01
Topological Polar Surface Area	39.44
Polarizability	22.9
Ring Count	2
Rotatable Bond Count	4

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