3-methoxy-4-(trifluoromethyl)benzaldehyde

3-methoxy-4-(trifluoromethyl)benzaldehyde

CAS: 945003-38-3

Formula: C9H7F3O2

SMILES: COC1=C(C=CC(C=O)=C1)C(F)(F)F

IUPAC: 3-methoxy-4-(trifluoromethyl)benzaldehyde

InChI: InChI=1S/C9H7F3O2/c1-14-8-4-6(5-13)2-3-7(8)9(10,11)12/h2-5H,1H3

Composition: C (52.95%), H (3.46%), F (27.92%), O (15.67%)

Molar Mass: 204.148

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.039813954
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XIRCMFYUQKUYJZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.08
Topological Polar Surface Area	26.3
Polarizability	16.02
Ring Count	1
Rotatable Bond Count	3

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