3,4-bis(difluoromethoxy)benzaldehyde

3,4-bis(difluoromethoxy)benzaldehyde

CAS: 127842-54-0

Formula: C9H6F4O3

SMILES: FC(F)OC1=CC=C(C=O)C=C1OC(F)F

IUPAC: 3,4-bis(difluoromethoxy)benzaldehyde

InChI: InChI=1S/C9H6F4O3/c10-8(11)15-6-2-1-5(4-14)3-7(6)16-9(12)13/h1-4,8-9H

Composition: C (45.39%), H (2.54%), F (31.91%), O (20.16%)

Molar Mass: 238.138

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.025306705
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IPHURZAZBKLMQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.59
Topological Polar Surface Area	35.53
Polarizability	16.77
Ring Count	1
Rotatable Bond Count	5

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