2-bromo-4-(trifluoromethoxy)benzaldehyde

2-bromo-4-(trifluoromethoxy)benzaldehyde

CAS: 1114808-87-5

Formula: C8H4BrF3O2

SMILES: FC(F)(F)OC1=CC=C(C=O)C(Br)=C1

IUPAC: 2-bromo-4-(trifluoromethoxy)benzaldehyde

InChI: InChI=1S/C8H4BrF3O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-4H

Composition: C (35.72%), H (1.50%), Br (29.70%), F (21.19%), O (11.89%)

Molar Mass: 269.017

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.934677
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NTFBYDIXDWHKBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.34
Topological Polar Surface Area	26.3
Polarizability	17.46
Ring Count	1
Rotatable Bond Count	3

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