4-chloro-2-fluoro-5-methoxybenzaldehyde

4-chloro-2-fluoro-5-methoxybenzaldehyde

CAS: 177034-24-1

Formula: C8H6ClFO2

SMILES: COC1=CC(C=O)=C(F)C=C1Cl

IUPAC: 4-chloro-2-fluoro-5-methoxybenzaldehyde

InChI: InChI=1S/C8H6ClFO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3

Composition: C (50.95%), H (3.21%), Cl (18.80%), F (10.07%), O (16.97%)

Molar Mass: 188.58

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.0040353
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XWPDQEBSWPVPKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.13
Topological Polar Surface Area	26.3
Polarizability	16.44
Ring Count	1
Rotatable Bond Count	2

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