2-(4-fluorophenyl)-2-oxoacetaldehyde hydrate

2-(4-fluorophenyl)-2-oxoacetaldehyde hydrate

CAS: 7468-86-2

Formula: C8H7FO3

SMILES: O.FC1=CC=C(C=C1)C(=O)C=O

IUPAC: 2-(4-fluorophenyl)-2-oxoacetaldehyde hydrate

InChI: InChI=1S/C8H5FO2.H2O/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-5H;1H2

Composition: C (56.48%), H (4.15%), F (11.17%), O (28.21%)

Molar Mass: 170.139

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.037922248
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JZJXSEZCPBRRLU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.53
Topological Polar Surface Area	34.14
Polarizability	13.86
Ring Count	1
Rotatable Bond Count	2

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